<?xml version="1.0" encoding="utf-8"?>
<export-example>
  <doc>
    <id>60137</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>13</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>432</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Highly productive V/Zn-SiO2 catalysts for the selective oxidation of methane</title>
    <abstract language="eng">The production of formaldehyde on industrial scale requires huge amounts of energy due to the involvement of reforming processes in combination with the demand in the megaton scale. Hence, a direct route for the transformation of (bio)methane to formaldehyde would decrease costs and puts less pressure on the environment. Herein, we report on the use of zinc modified silicas as possible support materials for vanadium catalysts and the resulting consequences for the performance in the selective oxidation of methane to formaldehyde. After optimization of the Zn content and reaction conditions, a remarkably high space-time yield of 12.4 kgCH2O⋅kgcat − 1 ⋅h− 1 was achieved. As a result of the extensive characterization by means of UV–vis, Raman, XANES and NMR spectroscopy it was found that vanadium is in the vicinity of highly dispersed zinc atoms which promote the formation of active vanadium species as supposed by theoretical calculations. This work presents a further step of catalyst development towards direct industrial methane conversion which may help to overcome current limitations in the future.</abstract>
    <parentTitle language="eng">Catalysis Today</parentTitle>
    <identifier type="doi">10.1016/j.cattod.2024.114643</identifier>
    <identifier type="issn">0920-5861</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
    <enrichment key="opus_import_data">{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,4,4]],"date-time":"2024-04-04T00:49:20Z","timestamp":1712191760458},"reference-count":67,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2024,4,1]],"date-time":"2024-04-01T00:00:00Z","timestamp":1711929600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2024,4,1]],"date-time":"2024-04-01T00:00:00Z","timestamp":1711929600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2024,4,1]],"date-time":"2024-04-01T00:00:00Z","timestamp":1711929600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,4,1]],"date-time":"2024-04-01T00:00:00Z","timestamp":1711929600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2024,4,1]],"date-time":"2024-04-01T00:00:00Z","timestamp":1711929600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,4,1]],"date-time":"2024-04-01T00:00:00Z","timestamp":1711929600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/100007177","name":"CRC Health Group","doi-asserted-by":"publisher","award":["1487"]},{"DOI":"10.13039\/501100001659","name":"DFG","doi-asserted-by":"publisher","award":["351914377"]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Catalysis Today"],"published-print":{"date-parts":[[2024,4]]},"DOI":"10.1016\/j.cattod.2024.114643","type":"journal-article","created":{"date-parts":[[2024,3,13]],"date-time":"2024-03-13T16:32:47Z","timestamp":1710347567000},"page":"114643","update-policy":"http:\/\/dx.doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"title":["Highly productive V\/Zn-SiO2 catalysts for the selective oxidation of methane"],"prefix":"10.1016","volume":"432","author":[{"given":"Benny","family":"Kunkel","sequence":"first","affiliation":[]},{"given":"Dominik","family":"Seeburg","sequence":"additional","affiliation":[]},{"given":"Anke","family":"Kabelitz","sequence":"additional","affiliation":[]},{"given":"Steffen","family":"Witte","sequence":"additional","affiliation":[]},{"given":"Torsten","family":"Gutmann","sequence":"additional","affiliation":[]},{"given":"Hergen","family":"Breitzke","sequence":"additional","affiliation":[]},{"given":"Gerd","family":"Buntkowsky","sequence":"additional","affiliation":[]},{"given":"Ana Guilherme","family":"Buzanich","sequence":"additional","affiliation":[]},{"given":"Sebastian","family":"Wohlrab","sequence":"additional","affiliation":[]}],"member":"78","reference":[{"key":"10.1016\/j.cattod.2024.114643_bib1","doi-asserted-by":"crossref","first-page":"3970","DOI":"10.1021\/acssuschemeng.6b00837","article-title":"Hydrogenation of carbon monoxide into formaldehyde in liquid media","volume":"4","author":"Bahmanpour","year":"2016","journal-title":"ACS Sustain. Chem. Eng."},{"key":"10.1016\/j.cattod.2024.114643_bib2","doi-asserted-by":"crossref","unstructured":"A.W. Franz, H. Kronemayer, D. Pfeiffer, R.D. Pilz, G. Reuss, W. Disteldorf, A.O. Gamer, A. Hilt, Formaldehyde, (2016) 1-34.","DOI":"10.1002\/14356007.a11_619.pub2"},{"key":"10.1016\/j.cattod.2024.114643_bib3","doi-asserted-by":"crossref","unstructured":"W. Dai, L. Ren, Dehydrogenation of Alcohols: Formaldehyde, Handbook of Heterogeneous Catalysis, pp. 3256-3265.","DOI":"10.1002\/9783527610044.hetcat0165"},{"key":"10.1016\/j.cattod.2024.114643_bib4","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1016\/S0920-5861(03)00110-X","article-title":"The partial oxidation of propane to formaldehyde using uranium mixed oxide catalysts","volume":"81","author":"Taylor","year":"2003","journal-title":"Catal. Today"},{"key":"10.1016\/j.cattod.2024.114643_bib5","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1016\/j.jcat.2007.06.015","article-title":"Catalytic oxidation of ethylene and ethane to formaldehyde by oxygen","volume":"250","author":"Lou","year":"2007","journal-title":"J. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib6","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1007\/s11244-005-2888-3","article-title":"NOx-catalyzed partial oxidation of methane and ethane to formaldehyde by dioxygen","volume":"32","author":"Sen","year":"2005","journal-title":"Top. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib7","doi-asserted-by":"crossref","first-page":"366","DOI":"10.1039\/C6CY01879C","article-title":"Methane conversion into different hydrocarbons or oxygenates: current status and future perspectives in catalyst development and reactor operation","volume":"7","author":"Kondratenko","year":"2017","journal-title":"Catal. Sci. Technol."},{"key":"10.1016\/j.cattod.2024.114643_bib8","doi-asserted-by":"crossref","first-page":"521","DOI":"10.1134\/S1070427209040016","article-title":"Catalytic partial oxidation of methane to formaldehyde","volume":"82","author":"de Vekki","year":"2009","journal-title":"Russ. J. Appl. Chem."},{"key":"10.1016\/j.cattod.2024.114643_bib9","doi-asserted-by":"crossref","first-page":"314","DOI":"10.3390\/catal12030314","article-title":"Gas-phase selective oxidation of methane into methane oxygenates","volume":"12","author":"Xu","year":"2022","journal-title":"Catalysts"},{"key":"10.1016\/j.cattod.2024.114643_bib10","doi-asserted-by":"crossref","first-page":"56","DOI":"10.1016\/j.catcom.2017.09.004","article-title":"Influence of V-sources on the catalytic performance of VMCM-41 in the selective oxidation of methane to formaldehyde","volume":"103","author":"Dang","year":"2018","journal-title":"Catal. Commun."},{"key":"10.1016\/j.cattod.2024.114643_bib11","doi-asserted-by":"crossref","DOI":"10.1016\/j.micromeso.2019.109581","article-title":"Influence of hydrothermal ageing time on the performance of in situ prepared VMCM-41 catalysts in the selective oxidation of methane to formaldehyde","volume":"288","author":"Seeburg","year":"2019","journal-title":"Microporous Mesoporous Mater."},{"key":"10.1016\/j.cattod.2024.114643_bib12","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1016\/j.jcat.2005.10.016","article-title":"Study of new catalysts based on vanadium oxide supported on mesoporous silica for the partial oxidation of methane to formaldehyde: Catalytic properties and reaction mechanism","volume":"237","author":"Nguyen","year":"2006","journal-title":"J. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib13","doi-asserted-by":"crossref","first-page":"277","DOI":"10.1016\/j.jcat.2005.11.032","article-title":"Thermolytic molecular precursor route to site-isolated vanadia\u2013silica materials and their catalytic performance in methane selective oxidation","volume":"238","author":"Ruddy","year":"2006","journal-title":"J. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib14","doi-asserted-by":"crossref","first-page":"3357","DOI":"10.1021\/cs5003417","article-title":"Critical literature review of the kinetics for the oxidative dehydrogenation of propane over well-defined supported vanadium oxide catalysts","volume":"4","author":"Carrero","year":"2014","journal-title":"ACS Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib15","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1007\/s10562-005-9196-1","article-title":"Catalytic performance of the Sb\u2013V mixed oxide on Sb\u2013V\u2013O\/SiO2 catalysts in methane selective oxidation to formaldehyde","volume":"106","author":"Zhang","year":"2006","journal-title":"Catal. Lett."},{"key":"10.1016\/j.cattod.2024.114643_bib16","doi-asserted-by":"crossref","first-page":"467","DOI":"10.1016\/S0920-5861(98)00442-8","article-title":"The origin of the support effect in supported metal oxide catalysts: in situ infrared and kinetic studies during methanol oxidation","volume":"49","author":"Burcham","year":"1999","journal-title":"Catal. Today"},{"key":"10.1016\/j.cattod.2024.114643_bib17","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1016\/S0920-5861(99)00049-8","article-title":"Structure\u2013reactivity relationships in oxidation of C4 hydrocarbons on supported vanadia catalysts","volume":"51","author":"Guliants","year":"1999","journal-title":"Catal. Today"},{"key":"10.1016\/j.cattod.2024.114643_bib18","doi-asserted-by":"crossref","first-page":"69509","DOI":"10.1039\/C5RA10624A","article-title":"Enhanced formaldehyde selectivity in catalytic methane oxidation by vanadia on Ti-doped SBA-15","volume":"5","author":"Wallis","year":"2015","journal-title":"RSC Adv."},{"key":"10.1016\/j.cattod.2024.114643_bib19","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1016\/j.apcata.2019.03.014","article-title":"Effects of promoters on the performance of a VOx\/SiO2 catalyst for the oxidation of methane to formaldehyde","volume":"577","author":"Shimura","year":"2019","journal-title":"Appl. Catal. A: Gen."},{"key":"10.1016\/j.cattod.2024.114643_bib20","doi-asserted-by":"crossref","first-page":"384","DOI":"10.1006\/jcat.1999.2786","article-title":"Structure and catalytic properties of VOx\/MCM materials for the partial oxidation of methane to formaldehyde","volume":"191","author":"Berndt","year":"2000","journal-title":"J. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib21","doi-asserted-by":"crossref","first-page":"1411","DOI":"10.3390\/catal10121411","article-title":"Increasing the efficiency of optimized V-SBA-15 catalysts in the selective oxidation of methane to formaldehyde by artificial neural network modelling","volume":"10","author":"Kunkel","year":"2020","journal-title":"Catalysts"},{"key":"10.1016\/j.cattod.2024.114643_bib22","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1016\/j.cattod.2010.11.060","article-title":"Zr-SBA-15 as an efficient acid catalyst for FAME production from crude palm oil","volume":"167","author":"Iglesias","year":"2011","journal-title":"Catal. Today"},{"key":"10.1016\/j.cattod.2024.114643_bib23","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1006\/jcat.2000.3066","article-title":"MCM-48-supported vanadium oxide catalysts, prepared by the molecular designed dispersion of VO(acac)2: a detailed study of the highly reactive MCM-48 surface and the structure and activity of the deposited VOx","volume":"197","author":"Baltes","year":"2001","journal-title":"J. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib24","doi-asserted-by":"crossref","first-page":"1126","DOI":"10.1107\/S0021889810030499","article-title":"Fityk: a general-purpose peak fitting program","volume":"43","author":"Wojdyr","year":"2010","journal-title":"J. Appl. Crystallogr."},{"issue":"1988","key":"10.1016\/j.cattod.2024.114643_bib25","first-page":"128","article-title":"Suppression of signals from the probe in bloch decay spectra","volume":"80","author":"Cory","year":"1969","journal-title":"J. Magn. Reson."},{"key":"10.1016\/j.cattod.2024.114643_bib26","doi-asserted-by":"crossref","first-page":"6951","DOI":"10.1063\/1.470372","article-title":"Heteronuclear decoupling in rotating solids","volume":"103","author":"Bennett","year":"1995","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.cattod.2024.114643_bib27","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1016\/0022-2364(83)90207-X","article-title":"An improved sequence for broadband decoupling: WALTZ-16","volume":"52","author":"Shaka","year":"1983","journal-title":"J. Magn. Reson. (1969)"},{"key":"10.1016\/j.cattod.2024.114643_bib28","doi-asserted-by":"crossref","DOI":"10.1063\/5.0157194","article-title":"BAMline\u2014a real-life sample materials research beamline","volume":"158","author":"Guilherme Buzanich","year":"2023","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.cattod.2024.114643_bib29","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1107\/S0909049505012719","article-title":"ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT","volume":"12","author":"Ravel","year":"2005","journal-title":"J. Synchrotron Radiat."},{"key":"10.1016\/j.cattod.2024.114643_bib30","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","article-title":"Density-functional thermochemistry. III. The role of exact exchange","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.cattod.2024.114643_bib31","doi-asserted-by":"crossref","first-page":"5829","DOI":"10.1063\/1.467146","article-title":"Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr","volume":"100","author":"Sch\u00e4fer","year":"1994","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.cattod.2024.114643_bib32","unstructured":"M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, X.L.M. Caricato, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.J.A. Montgomery, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian 09, Revision E.01, Gaussian Inc., Wallingford CT, 2013."},{"key":"10.1016\/j.cattod.2024.114643_bib33","doi-asserted-by":"crossref","first-page":"1741","DOI":"10.1021\/ja00187a028","article-title":"Silsesquioxanes as models for silica surfaces","volume":"111","author":"Feher","year":"1989","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.cattod.2024.114643_bib34","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1021\/jp508422u","article-title":"Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can Anharmonic force fields be avoided?","volume":"119","author":"Kesharwani","year":"2015","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.cattod.2024.114643_bib35","doi-asserted-by":"crossref","first-page":"29159","DOI":"10.1021\/jp505114t","article-title":"Catalytically active vanadia species on silica: effect of oxygen and water","volume":"118","author":"Sauer","year":"2014","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.cattod.2024.114643_bib36","doi-asserted-by":"crossref","first-page":"9593","DOI":"10.1021\/jp055767y","article-title":"Quantitative determination of the speciation of surface vanadium oxides and their catalytic activity","volume":"110","author":"Tian","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.cattod.2024.114643_bib37","doi-asserted-by":"crossref","first-page":"2201","DOI":"10.1351\/pac198254112201","article-title":"Reporting physisorption data for gas\/solid systems with special reference to the determination of surface area and porosity (Provisional)","volume":"54","author":"Sing","year":"1982","journal-title":"Pure Appl. Chem."},{"key":"10.1016\/j.cattod.2024.114643_bib38","doi-asserted-by":"crossref","first-page":"254","DOI":"10.1021\/ja983218i","article-title":"Mesocellular siliceous foams with uniformly sized cells and windows","volume":"121","author":"Schmidt-Winkel","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.cattod.2024.114643_bib39","doi-asserted-by":"crossref","first-page":"28","DOI":"10.1021\/cm991109c","article-title":"Synthesis of mesocellular silica foams with tunable window and cell dimensions","volume":"13","author":"Lukens","year":"2001","journal-title":"Chem. Mater."},{"key":"10.1016\/j.cattod.2024.114643_bib40","doi-asserted-by":"crossref","DOI":"10.1016\/j.catcom.2021.106317","article-title":"Enhancement and limits of the selective oxidation of methane to formaldehyde over V-SBA-15: Influence of water cofeed and product decomposition","author":"Kunkel","year":"2021","journal-title":"Catal. Commun."},{"key":"10.1016\/j.cattod.2024.114643_bib41","doi-asserted-by":"crossref","DOI":"10.1002\/anie.202206841","article-title":"Platinum-catalysed selective aerobic oxidation of methane to formaldehyde in the presence of liquid water","volume":"61","author":"Mahlaba","year":"2022","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.cattod.2024.114643_bib42","doi-asserted-by":"crossref","first-page":"7681","DOI":"10.1021\/jacs.8b03809","article-title":"Direct conversion of methane to methanol on Ni-Ceria surfaces: metal\u2013support interactions and water-enabled catalytic conversion by site blocking","volume":"140","author":"Lustemberg","year":"2018","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.cattod.2024.114643_bib43","doi-asserted-by":"crossref","first-page":"1785","DOI":"10.1021\/acs.jpcc.1c08739","article-title":"Selective oxidation of methane to formaldehyde over a silica-supported cobalt single-atom catalyst","volume":"126","author":"Ohyama","year":"2022","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.cattod.2024.114643_bib44","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1016\/j.scriptamat.2014.01.033","article-title":"Effect of particle size on the UV absorbance of zinc oxide nanoparticles","volume":"78-79","author":"Goh","year":"2014","journal-title":"Scr. Mater."},{"key":"10.1016\/j.cattod.2024.114643_bib45","doi-asserted-by":"crossref","first-page":"1091","DOI":"10.1021\/cs401116p","article-title":"Propylene hydrogenation and propane dehydrogenation by a single-site Zn2+ on silica catalyst","volume":"4","author":"Schweitzer","year":"2014","journal-title":"ACS Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib46","doi-asserted-by":"crossref","first-page":"8005","DOI":"10.1021\/jp981482s","article-title":"Supported vanadium oxide catalysts: quantitative spectroscopy, preferential adsorption of V4+\/5+, and Al2O3 coating of zeolite Y","volume":"102","author":"Catana","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.cattod.2024.114643_bib47","doi-asserted-by":"crossref","first-page":"1261","DOI":"10.1021\/jp992867t","article-title":"Investigation of surface structures of supported vanadium oxide catalysts by UV\u2212vis\u2212NIR diffuse reflectance spectroscopy","volume":"104","author":"Gao","year":"2000","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.cattod.2024.114643_bib48","doi-asserted-by":"crossref","DOI":"10.1103\/PhysRevB.75.165202","article-title":"Temperature dependence of Raman scattering in ZnO","volume":"75","author":"Cusc\u00f3","year":"2007","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.cattod.2024.114643_bib49","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1016\/S0022-3093(05)80555-1","article-title":"Origin of the Raman bands, D1 and D2, in high surface area and vitreous silicas","volume":"143","author":"Humbert","year":"1992","journal-title":"J. Non-Cryst. Solids"},{"key":"10.1016\/j.cattod.2024.114643_bib50","doi-asserted-by":"crossref","first-page":"5527","DOI":"10.1103\/PhysRevB.23.5527","article-title":"Vibrational dynamics in 18O-substituted vitreous SiO2","volume":"23","author":"Galeener","year":"1981","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.cattod.2024.114643_bib51","doi-asserted-by":"crossref","first-page":"17386","DOI":"10.1021\/jp051801x","article-title":"Structure sensitivity of vibrational spectra of mesoporous silica SBA-15 and Pt\/SBA-15","volume":"109","author":"Borodko","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.cattod.2024.114643_bib52","doi-asserted-by":"crossref","first-page":"1577","DOI":"10.1007\/s11244-017-0841-x","article-title":"Vibrational spectroscopy of oxide overlayers","volume":"60","author":"Strunk","year":"2017","journal-title":"Top. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib53","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1016\/0021-9517(91)90036-4","article-title":"Surface oxide-support interaction (SOSI) for surface redox sites","volume":"129","author":"Deo","year":"1991","journal-title":"J. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib54","doi-asserted-by":"crossref","first-page":"5653","DOI":"10.1021\/jp981423e","article-title":"Preparation and in-situ spectroscopic characterization of molecularly dispersed titanium oxide on silica","volume":"102","author":"Gao","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.cattod.2024.114643_bib55","doi-asserted-by":"crossref","first-page":"5689","DOI":"10.1002\/chem.200400351","article-title":"Hydrogen bonding of water confined in mesoporous silica MCM-41 and SBA-15 studied by 1H solid-state NMR","volume":"10","author":"Gr\u00fcnberg","year":"2004","journal-title":"Chem. \u2013 A Eur. J."},{"key":"10.1016\/j.cattod.2024.114643_bib56","doi-asserted-by":"crossref","first-page":"19540","DOI":"10.1021\/acs.jpcc.8b04745","article-title":"Mixtures of alcohols and water confined in mesoporous silica: a combined solid-state NMR and molecular dynamics simulation study","volume":"122","author":"Kumari","year":"2018","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.cattod.2024.114643_bib57","doi-asserted-by":"crossref","first-page":"3462","DOI":"10.1063\/1.1737075","article-title":"Electronic structure of ZnO nanorods studied by angle-dependent x-ray absorption spectroscopy and scanning photoelectron microscopy","volume":"84","author":"Chiou","year":"2004","journal-title":"Appl. Phys. Lett."},{"key":"10.1016\/j.cattod.2024.114643_bib58","doi-asserted-by":"crossref","first-page":"39105","DOI":"10.1021\/acsami.7b06728","article-title":"Revealing the bonding environment of Zn in ALD Zn(O,S) buffer layers through x-ray absorption spectroscopy","volume":"9","author":"Dadlani","year":"2017","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"10.1016\/j.cattod.2024.114643_bib59","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1186\/1752-153X-4-3","article-title":"Structural characterization of vanadium oxide catalysts supported on nanostructured silica SBA-15 using X-ray absorption spectroscopy","volume":"4","author":"Walter","year":"2010","journal-title":"Chem. Cent. J."},{"key":"10.1016\/j.cattod.2024.114643_bib60","doi-asserted-by":"crossref","first-page":"4875","DOI":"10.1021\/acscatal.9b00326","article-title":"Single-site vanadyl species isolated within molybdenum oxide monolayers in propane oxidation","volume":"9","author":"Fu","year":"2019","journal-title":"ACS Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib61","doi-asserted-by":"crossref","first-page":"14753","DOI":"10.1021\/jp072627a","article-title":"Investigation of the selective oxidation of methanol to formaldehyde on isolated vanadate species supported on silica","volume":"111","author":"Goodrow","year":"2007","journal-title":"J. Phys. Chem. C"},{"key":"10.1016\/j.cattod.2024.114643_bib62","doi-asserted-by":"crossref","first-page":"170","DOI":"10.1016\/j.jcat.2016.10.017","article-title":"Single-site zinc on silica catalysts for propylene hydrogenation and propane dehydrogenation: Synthesis and reactivity evaluation using an integrated atomic layer deposition-catalysis instrument","volume":"345","author":"Camacho-Bunquin","year":"2017","journal-title":"J. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib63","doi-asserted-by":"crossref","first-page":"10740","DOI":"10.1021\/jp902818m","article-title":"Characterization of supported vanadium oxide species on silica: a periodic DFT investigation","volume":"113","author":"Islam","year":"2009","journal-title":"J. Phys. Chem. C."},{"key":"10.1016\/j.cattod.2024.114643_bib64","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1016\/j.jcat.2007.10.019","article-title":"Synthesis, characterization, and catalytic performance of highly dispersed vanadium grafted SBA-15 catalyst","volume":"253","author":"Du","year":"2008","journal-title":"J. Catal."},{"key":"10.1016\/j.cattod.2024.114643_bib65","doi-asserted-by":"crossref","first-page":"5596","DOI":"10.1103\/PhysRevB.30.5596","article-title":"K-edge absorption spectra of selected vanadium compounds","volume":"30","author":"Wong","year":"1984","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.cattod.2024.114643_bib66","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1016\/j.cattod.2012.02.043","article-title":"On the performance of porous silica supported VOx catalysts in the partial oxidation of methane","volume":"192","author":"Pirovano","year":"2012","journal-title":"Catal. Today"},{"issue":"21","key":"10.1016\/j.cattod.2024.114643_bib67","doi-asserted-by":"crossref","first-page":"6180","DOI":"10.1039\/C9CY01410A","article-title":"Structural characterization of vanadium environments in MCM-41 molecular sieve catalysts by solid state 51V NMR","volume":"9","author":"de Oliveira","year":"2019","journal-title":"Catal. Sci. Technol."}],"container-title":["Catalysis Today"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0920586124001378?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0920586124001378?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2024,4,3]],"date-time":"2024-04-03T17:49:10Z","timestamp":1712166550000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0920586124001378"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,4]]},"references-count":67,"alternative-id":["S0920586124001378"],"URL":"http:\/\/dx.doi.org\/10.1016\/j.cattod.2024.114643","relation":{},"ISSN":["0920-5861"],"issn-type":[{"value":"0920-5861","type":"print"}],"subject":[],"published":{"date-parts":[[2024,4]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Highly productive V\/Zn-SiO2 catalysts for the selective oxidation of methane","name":"articletitle","label":"Article Title"},{"value":"Catalysis Today","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.cattod.2024.114643","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2024 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"114643"}}</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">27.05.2024</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Benny Kunkel</author>
    <author>Dominik Seeburg</author>
    <author>Anke Kabelitz</author>
    <author>Steffen Witte</author>
    <author>Torsten Gutmann</author>
    <author>Hergen Breitzke</author>
    <author>Gerd Buntkowsky</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Sebastian Wohlrab</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Catalysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Selective oxidation</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>51723</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>331</pageFirst>
    <pageLast>334</pageLast>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>17</volume>
    <type>article</type>
    <publisherName>Royal Scociety of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Observation of early ZIF-8 crystallization stages with X-ray absorption spectroscopy</title>
    <abstract language="eng">The present study investigates early stages of ZIF-8 crystallization up to 5 minutes post mixing of precursor solutions. Dispersive X-ray Absorption Spectroscopy (DXAS) provides a refined understanding of the evolution of the coordination environment during ZIF-8 crystallization. Linear Combination Fiting (LCF) suggests tetrakis(1-methylimidazole)zinc2+ to be a suitable and stable mononuclear structure analogue for some early stage ZIF-8 intermediates. Our results pave the way for more detailed studies on physico-chemical aspects of ZIF-8 crystallization to better control tailoring ZIF-8 materials for specific applications.</abstract>
    <parentTitle language="eng">Soft Matter</parentTitle>
    <identifier type="doi">10.1039/D0SM01356K</identifier>
    <identifier type="issn">1744-6848</identifier>
    <enrichment key="date_peer_review">28.12.2020</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Anicó Kulow</author>
    <author>Anke Kabelitz</author>
    <author>C. Grunewald</author>
    <author>R. Seidel</author>
    <author>Ander Chapartegui-Arias</author>
    <author>Martin Radtke</author>
    <author>Uwe Reinholz</author>
    <author>Franziska Emmerling</author>
    <author>S. Beyer</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In-situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ZIF-8</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>51742</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1411</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>12</issue>
    <volume>10</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Increasing the Efficiency of Optimized V-SBA-15 Catalysts in the Selective Oxidation of Methane to Formaldehyde by Artificial Neural Network Modelling</title>
    <abstract language="eng">The present study investigates the possibility of improving the selective oxidation of methane to formaldehyde over V-SBA-15 catalysts in two different ways. In a classical approach of catalyst optimization, the in situ synthesis of V-SBA-15 catalysts was optimized with regard to the applied pH value. Among the set of catalysts synthesized, a higher amount of incorporated vanadium, a higher content of polymeric VOx species as well as a less ordered structure of the support material were observed by increasing the pH values from 2.0 to 3.0. An optimum in performance during the selective oxidation of methane to formaldehyde with respect to activity and selectivity was found over V-SBA-15 prepared at a pH value of 2.5. With this knowledge, we have now evaluated the possibilities of reaction control using this catalyst. Specifically, artificial neural network modelling was applied after the collection of 232 training samples for obtaining insight into the influence of different reaction parameters (temperature; gas hourly space velocity (GHSV); and concentration of O2, N2 and H2O) onto methane conversion and selectivity towards formaldehyde.&#13;
This optimization of reaction conditions resulted in an outstanding high space-time yield of 13.6 kgCH2O∙kgcat∙h−1</abstract>
    <parentTitle language="eng">Catalysts</parentTitle>
    <identifier type="doi">10.3390/catal10121411</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-517420</identifier>
    <enrichment key="date_peer_review">14.01.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>B. Kunkel</author>
    <author>Anke Kabelitz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>S. Wohlrab</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Artificial neural network modelling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Selective oxidation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Molecular VOx catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Formaldehyde</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Eigenverlag BAM</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51742/catalysts-10-01411.pdf</file>
  </doc>
  <doc>
    <id>51082</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>8</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>26</volume>
    <type>article</type>
    <publisherName>WILEY-VCH Verlag GmbH &amp; co. KGaA</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The Earlier the Better: Structural Analysis and Separation of Lanthanides with Pyrroloquinoline Quinone</title>
    <abstract language="eng">Lanthanides (Ln) are critical raw materials, however, their mining and purification have a considerable negative environmental impact and sustainable recycling and separation strategies for these elements are needed. In this study, the precipitation and solubility behavior of Ln complexes with pyrroloquinoline quinone (PQQ), the cofactor of recently discovered lanthanide (Ln) dependent methanol Dehydrogenase (MDH) enzymes, is presented. In this context, the molecular structure of a biorelevant europium PQQ complex was for the first time elucidated outside a protein environment.&#13;
The complex crystallizes as an inversion symmetric dimer, Eu2PQQ2, with binding of Eu in the biologically relevant pocket of PQQ. LnPQQ and Ln1Ln2PQQ complexes were characterized by using inductively coupled Plasma mass spectrometry (ICP-MS), infrared (IR) spectroscopy, 151Eu-Mössbauer spectroscopy, X-ray total scattering, and Extended X-ray absorption fine structure (EXAFS). It is shown that a natural enzymatic cofactor is capable to achieve Separation by precipitation of the notoriously similar, and thus difficult to separate, lanthanides to some extent.</abstract>
    <parentTitle language="eng">Chemistry – A European Journal</parentTitle>
    <identifier type="doi">10.1002/chem.202002653</identifier>
    <identifier type="issn">0947-6539</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-510821</identifier>
    <enrichment key="date_peer_review">05.08.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>H. Lumpe</author>
    <author>A. Menke</author>
    <author>C. Haisch</author>
    <author>P. Mayer</author>
    <author>Anke Kabelitz</author>
    <author>Kirill Yusenko</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>T. Block</author>
    <author>R. Pöttgen</author>
    <author>Franziska Emmerling</author>
    <author>L. J. Daumann</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lanthanides</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Structural Analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Separation</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51082/Lumpe_2020_Chemistry_A_european_journal_The_earlier_the_better_.pdf</file>
  </doc>
  <doc>
    <id>51270</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>10133</pageFirst>
    <pageLast>10139</pageLast>
    <pageNumber/>
    <edition/>
    <issue>44</issue>
    <volume>26</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The Earlier the Better: Structural Analysis and Separation of Lanthanides with Pyrroloquinoline Quinone</title>
    <abstract language="eng">Lanthanides (Ln) are critical raw materials, however, their mining and purification have a considerable negative environmental impact and sustainable recycling and separation strategies for these elements are needed. In this study, the precipitation and solubility behavior of Ln complexes with pyrroloquinoline quinone (PQQ), the cofactor of recently discovered lanthanide (Ln) dependent methanol dehydrogenase (MDH) enzymes, is presented. In this context, the molecular structure of a biorelevant europium PQQ complex was for the first time elucidated outside a protein environment. The complex crystallizes as an inversion symmetric dimer, Eu2PQQ2, with binding of Eu in the biologically relevant pocket of PQQ. LnPQQ and Ln1Ln2PQQ complexes were characterized by using inductively coupled plasma mass spectrometry (ICP‐MS), infrared (IR) spectroscopy, 151Eu‐Mössbauer spectroscopy, X‐ray total scattering, and extended X‐ray absorption fine structure (EXAFS). It is shown that a natural enzymatic cofactor is capable to achieve separation by precipitation of the notoriously similar, and thus difficult to separate, lanthanides to some extent.</abstract>
    <parentTitle language="eng">Chemistry A European Journal</parentTitle>
    <identifier type="doi">10.1002/chem.202002653</identifier>
    <identifier type="old">0947-6539</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-512707</identifier>
    <enrichment key="date_peer_review">21.09.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>H. Lumpe</author>
    <author>Annika Menke</author>
    <author>C. Haisch</author>
    <author>P. Mayer</author>
    <author>Anke Kabelitz</author>
    <author>Kirill Yusenko</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>T. Block</author>
    <author>R. Pöttgen</author>
    <author>Franziska Emmerling</author>
    <author>L. Daumann</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PQQ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lanthanoide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Coordination chemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Rare earth elements separations</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51270/chem.202002653.pdf</file>
  </doc>
  <doc>
    <id>43346</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>32226</pageFirst>
    <pageLast>32234</pageLast>
    <pageNumber/>
    <edition/>
    <issue>48</issue>
    <volume>19</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Detection of the electronic structure of iron-(III)-oxo oligomers forming in aqueous solutions</title>
    <abstract language="eng">The nature of the small iron-oxo oligomers in iron-(III) aqueous solutions has a determining effect on the chemical processes that govern the formation of nanoparticles in aqueous phase. Here we report on a liquid-Jet photoelectron-spectroscopy experiment for the investigation of the electronic structure of the occurring iron-oxo oligomers in FeCl3 aqueous solutions. The only iron species in the as-prepared 0.75 M solution are Fe3+ monomers. Addition of NaOH initiates Fe3+ hydrolysis which is followed by the formation of iron-oxo oligomers. At small enough NaOH concentrations, corresponding to approximately [OH]/[Fe] = 0.2–0.25 ratio, the iron oligomers can be stabilized for several hours without engaging in further aggregation. Here, we apply a combination of non-resonant as well as iron 2p and Oxygen 1s resonant photoelectron spectroscopy from a liquid microjet to detect the electronic structure of the occurring species. Specifically, the oxygen 1s partial electron yield X-ray absorption (PEY-XA) spectra are found to exhibit a peak well below the onset of liquid water and OH (aq) absorption. The iron 2p absorption gives rise to signal centered between the main absorption bands typical for aqueous Fe3+. Absorption bands in both PEY-XA spectra are found to correlate with an enhanced photoelectron Peak near 20 eV binding energy, which demonstrates the sensitivity of resonant photoelectron (RPE) spectroscopy to mixing between iron and ligand orbitals. These various signals from the iron-oxo oligomers exhibit Maximum intensity at [OH]/[Fe] = 0.25 ratio. For the same ratio, we observe changes in the pH as well as in complementary Raman spectra, which can be assigned to the Transition from monomeric to oligomeric species. At approximately [OH]/[Fe] = 0.3 we begin to observe particles larger than 1 nm in radius, detected by small-angle X-ray scattering.</abstract>
    <parentTitle language="eng">Physical Chemistry Chemical Physics</parentTitle>
    <identifier type="doi">10.1039/c7cp06945f</identifier>
    <identifier type="issn">1463-9076</identifier>
    <identifier type="issn">1463-9084</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-433468</identifier>
    <enrichment key="date_peer_review">07.12.2017</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>R. Seidel</author>
    <author>K. Kraffert</author>
    <author>Anke Kabelitz</author>
    <author>M.N. Pohl</author>
    <author>R. Kraehnert</author>
    <author>Franziska Emmerling</author>
    <author>B. Winter</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Iron-oxo oligomers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XPS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electronic structure</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/43346/2017_XPS_ironoxide_oligomers.pdf</file>
  </doc>
  <doc>
    <id>38421</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>17453</pageFirst>
    <pageLast>17463</pageLast>
    <pageNumber/>
    <edition/>
    <issue>43</issue>
    <volume>45</volume>
    <type>article</type>
    <publisherName>The Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The crystallisation of copper(II) phenylphosphonates</title>
    <abstract language="eng">The crystal structures and syntheses of four different copper(II) phenylphosphonates, the monophenylphosphonates α-, β-, and γ-Cu(O3PC6H5)·H2O (α-CuPhPmH (1) β-CuPhPmH (2) and γ-CuPhPmH (3)), and the diphosphonate Cu(HO3PC6H5)2·H2O (CuPhP2mH (4)), are presented. The compounds were synthesized from solution at room temperature, at elevated temperature, under hydrothermal conditions, and mechanochemical conditions. The structures of α-CuPhPmH (1) and CuPhP2mH (4) were solved from powder X-ray diffraction data. The structure of β-CuPhPmH (2) was solved by single crystal X-ray analysis. The structures were validated by extended X-ray absorption fine structure (EXAFS) and DTA analyses. Disorder of the crystal structure was elucidated by electron diffraction. The relationship between the compounds and their reaction pathways were investigated by in situ synchrotron measurements.</abstract>
    <parentTitle language="eng">Dalton Transactions</parentTitle>
    <identifier type="doi">10.1039/C6DT02904C</identifier>
    <identifier type="issn">1477-9226</identifier>
    <identifier type="issn">1477-9234</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-384217</identifier>
    <enrichment key="date_peer_review">08.12.2016</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>Manuel Wilke</author>
    <author>Anke Kabelitz</author>
    <author>T. E. Gorelik</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Uwe Reinholz</author>
    <author>U. Kolb</author>
    <author>K. Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal phosphonate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/38421/Wilke-2016-The crystallisation.pdf</file>
  </doc>
  <doc>
    <id>58492</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>4</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Time-, space- and energy-resolved &lt;i&gt;in situ&lt;/i&gt; characterization of catalysts by X-ray absorption spectroscopy</title>
    <abstract language="eng">A novel setup for dispersive X-ray absorption spectroscopy (XAS) with simultaneous resolution of space, time and energy for in situ characterization of solid materials is demonstrated.</abstract>
    <parentTitle language="eng">Chemical Communications</parentTitle>
    <identifier type="doi">10.1039/d3cc03277a</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-584924</identifier>
    <identifier type="issn">1359-7345</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
    <enrichment key="opus_import_data">{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,9,22]],"date-time":"2023-09-22T05:02:15Z","timestamp":1695358935153},"reference-count":49,"publisher":"Royal Society of Chemistry (RSC)","license":[{"start":{"date-parts":[[2023,9,8]],"date-time":"2023-09-08T00:00:00Z","timestamp":1694131200000},"content-version":"vor","delay-in-days":250,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["351914377"]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Chem. Commun."],"abstract":"&lt;jats:p&gt;A novel setup for dispersive X-ray absorption spectroscopy (XAS) with simultaneous resolution of space, time and energy for &lt;jats:italic&gt;in situ&lt;\/jats:italic&gt; characterization of solid materials is demonstrated.&lt;\/jats:p&gt;","DOI":"10.1039\/d3cc03277a","type":"journal-article","created":{"date-parts":[[2023,9,8]],"date-time":"2023-09-08T07:02:47Z","timestamp":1694156567000},"update-policy":"http:\/\/dx.doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Time-, space- and energy-resolved &lt;i&gt;in situ&lt;\/i&gt; characterization of catalysts by X-ray absorption spectroscopy"],"prefix":"10.1039","author":[{"ORCID":"http:\/\/orcid.org\/0000-0002-0128-4282","authenticated-orcid":false,"given":"Stefan","family":"Peters","sequence":"first","affiliation":[{"name":"Leibniz Institute for Catalysis (LIKAT Rostock), Albert-Einstein-Str. 29a, Rostock 18059, Germany"}]},{"given":"Benny","family":"Kunkel","sequence":"additional","affiliation":[{"name":"Leibniz Institute for Catalysis (LIKAT Rostock), Albert-Einstein-Str. 29a, Rostock 18059, Germany"}]},{"given":"Cafer Tufan","family":"Cakir","sequence":"additional","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Str. 11, Berlin 12489, Germany"}]},{"given":"Anke","family":"Kabelitz","sequence":"additional","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Str. 11, Berlin 12489, Germany"}]},{"given":"Steffen","family":"Witte","sequence":"additional","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Str. 11, Berlin 12489, Germany"}]},{"given":"Thomas","family":"Bernstein","sequence":"additional","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Str. 11, Berlin 12489, Germany"}]},{"ORCID":"http:\/\/orcid.org\/0000-0001-5901-7235","authenticated-orcid":false,"given":"Stephan","family":"Bartling","sequence":"additional","affiliation":[{"name":"Leibniz Institute for Catalysis (LIKAT Rostock), Albert-Einstein-Str. 29a, Rostock 18059, Germany"}]},{"ORCID":"http:\/\/orcid.org\/0000-0003-0014-8905","authenticated-orcid":false,"given":"Martin","family":"Radtke","sequence":"additional","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Str. 11, Berlin 12489, Germany"}]},{"ORCID":"http:\/\/orcid.org\/0000-0001-8528-0301","authenticated-orcid":false,"given":"Franziska","family":"Emmerling","sequence":"additional","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Str. 11, Berlin 12489, Germany"}]},{"ORCID":"http:\/\/orcid.org\/0000-0003-4160-0611","authenticated-orcid":false,"given":"Ali Mohamed","family":"Abdel-Mageed","sequence":"additional","affiliation":[{"name":"Leibniz Institute for Catalysis (LIKAT Rostock), Albert-Einstein-Str. 29a, Rostock 18059, Germany"}]},{"ORCID":"http:\/\/orcid.org\/0000-0003-1407-7263","authenticated-orcid":false,"given":"Sebastian","family":"Wohlrab","sequence":"additional","affiliation":[{"name":"Leibniz Institute for Catalysis (LIKAT Rostock), Albert-Einstein-Str. 29a, Rostock 18059, Germany"}]},{"ORCID":"http:\/\/orcid.org\/0000-0001-5543-9924","authenticated-orcid":false,"given":"Ana","family":"Guilherme Buzanich","sequence":"additional","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Str. 11, Berlin 12489, Germany"}]}],"member":"292","published-online":{"date-parts":[[2023]]},"reference":[{"key":"D3CC03277A\/cit1\/1","doi-asserted-by":"crossref","first-page":"97","author":"Weckhuysen","year":"2002","journal-title":"Chem. Commun.","DOI":"10.1039\/b107686h"},{"key":"D3CC03277A\/cit2\/1","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1016\/j.cattod.2004.12.017","volume":"100","author":"Ba\u00f1ares","year":"2005","journal-title":"Catal. Today"},{"key":"D3CC03277A\/cit3\/1","doi-asserted-by":"crossref","first-page":"900","DOI":"10.1016\/j.jcat.2021.08.013","volume":"404","author":"Zaera","year":"2021","journal-title":"J. Catal."},{"key":"D3CC03277A\/cit4\/1","doi-asserted-by":"crossref","first-page":"373","DOI":"10.1006\/jcat.1999.2795","volume":"191","author":"Li","year":"2000","journal-title":"J. Catal."},{"key":"D3CC03277A\/cit5\/1","doi-asserted-by":"crossref","first-page":"3386","DOI":"10.1021\/acs.jpcc.7b10518","volume":"122","author":"Waleska","year":"2018","journal-title":"J. Phys. Chem. C"},{"key":"D3CC03277A\/cit6\/1","doi-asserted-by":"crossref","first-page":"4951","DOI":"10.1039\/c0cs00117a","volume":"39","author":"Lamberti","year":"2010","journal-title":"Chem. Soc. Rev."},{"key":"D3CC03277A\/cit7\/1","doi-asserted-by":"crossref","first-page":"8209","DOI":"10.1021\/acs.jpcc.7b11442","volume":"122","author":"Walter","year":"2018","journal-title":"J. Phys. Chem. C"},{"key":"D3CC03277A\/cit8\/1","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1016\/j.molcata.2013.06.020","volume":"378","author":"Ha","year":"2013","journal-title":"J. Mol. Catal. A: Chem."},{"key":"D3CC03277A\/cit9\/1","doi-asserted-by":"crossref","first-page":"960","DOI":"10.1038\/s41929-018-0171-9","volume":"1","author":"Murugappan","year":"2018","journal-title":"Nat. Catal."},{"key":"D3CC03277A\/cit10\/1","doi-asserted-by":"crossref","first-page":"473","DOI":"10.1002\/cctc.201801299","volume":"11","author":"Agote-Ar\u00e1n","year":"2019","journal-title":"ChemCatChem"},{"key":"D3CC03277A\/cit11\/1","doi-asserted-by":"crossref","first-page":"e202103894","DOI":"10.1002\/chem.202103894","volume":"28","author":"Liu","year":"2022","journal-title":"Chem. \u2013 Eur. J."},{"key":"D3CC03277A\/cit12\/1","doi-asserted-by":"crossref","first-page":"882","DOI":"10.1021\/acs.chemrev.0c00396","volume":"121","author":"Timoshenko","year":"2021","journal-title":"Chem. Rev."},{"key":"D3CC03277A\/cit13\/1","doi-asserted-by":"crossref","first-page":"5864","DOI":"10.1021\/acscatal.2c01016","volume":"12","author":"Cutsail III","year":"2022","journal-title":"ACS Catal."},{"key":"D3CC03277A\/cit14\/1","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1002\/9781118844243.ch7","volume-title":"X-Ray Absorption and X-Ray Emission Spectroscopy","author":"Nachtegaal","year":"2016","unstructured":"M.Nachtegaal ,  O.M\u00fcller ,  C.K\u00f6nig  and  R.Frahm , in  X-Ray Absorption and X-Ray Emission Spectroscopy , ed.  J. A. van Bokhoven  and  C. Lamberti ,  2016 ,  pp. 155\u2013183"},{"key":"D3CC03277A\/cit15\/1","doi-asserted-by":"crossref","first-page":"8772","DOI":"10.1038\/s41598-020-65225-4","volume":"10","author":"Huang","year":"2020","journal-title":"Sci. Rep."},{"key":"D3CC03277A\/cit16\/1","first-page":"314002","volume":"33","author":"Leach","year":"2021","journal-title":"J. Phys.: Condens. Matter"},{"key":"D3CC03277A\/cit17\/1","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1039\/C8JA00313K","volume":"34","author":"Kulow","year":"2019","journal-title":"J. Anal. At. Spectrom."},{"key":"D3CC03277A\/cit18\/1","doi-asserted-by":"crossref","first-page":"244202","DOI":"10.1063\/5.0157194","volume":"158","author":"Guilherme Buzanich","year":"2023","journal-title":"J. Chem. Phys."},{"key":"D3CC03277A\/cit19\/1","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1002\/cctc.201800880","volume":"11","author":"Vollmer","year":"2019","journal-title":"ChemCatChem"},{"key":"D3CC03277A\/cit20\/1","doi-asserted-by":"crossref","first-page":"792","DOI":"10.1039\/C3CS60259A","volume":"43","author":"Spivey","year":"2014","journal-title":"Chem. Soc. Rev."},{"key":"D3CC03277A\/cit21\/1","doi-asserted-by":"crossref","first-page":"567","DOI":"10.1070\/RC2013v082n06ABEH004346","volume":"82","author":"Mamonov","year":"2013","journal-title":"Russ. Chem. Rev."},{"key":"D3CC03277A\/cit22\/1","doi-asserted-by":"crossref","first-page":"2002565","DOI":"10.1002\/adma.202002565","volume":"32","author":"Kosinov","year":"2020","journal-title":"Adv. Mater."},{"key":"D3CC03277A\/cit23\/1","doi-asserted-by":"crossref","first-page":"e202200711","DOI":"10.1002\/cctc.202200711","volume":"14","author":"Elrefaei","year":"2022","journal-title":"ChemCatChem"},{"key":"D3CC03277A\/cit24\/1","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1007\/BF02113855","volume":"3","author":"Wang","year":"1996","journal-title":"Top. Catal."},{"key":"D3CC03277A\/cit25\/1","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/S0920-5861(01)00440-0","volume":"71","author":"Shu","year":"2001","journal-title":"Catal. Today"},{"key":"D3CC03277A\/cit26\/1","doi-asserted-by":"crossref","first-page":"3722","DOI":"10.1021\/ja7110916","volume":"130","author":"Zheng","year":"2008","journal-title":"J. Am. Chem. Soc."},{"key":"D3CC03277A\/cit27\/1","doi-asserted-by":"crossref","first-page":"686","DOI":"10.1126\/science.aaa7048","volume":"348","author":"Gao","year":"2015","journal-title":"Science"},{"key":"D3CC03277A\/cit28\/1","doi-asserted-by":"crossref","first-page":"5215","DOI":"10.1002\/anie.201601357","volume":"55","author":"Lezcano-Gonz\u00e1lez","year":"2016","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3CC03277A\/cit29\/1","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1002\/cctc.201901166","volume":"12","author":"Agote-Ar\u00e1n","year":"2020","journal-title":"ChemCatChem"},{"key":"D3CC03277A\/cit30\/1","doi-asserted-by":"crossref","first-page":"1016","DOI":"10.1002\/anie.201711098","volume":"57","author":"Kosinov","year":"2018","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3CC03277A\/cit31\/1","doi-asserted-by":"crossref","first-page":"4801","DOI":"10.1039\/C8SC01263F","volume":"9","author":"Vollmer","year":"2018","journal-title":"Chem. Sci."},{"key":"D3CC03277A\/cit32\/1","doi-asserted-by":"crossref","first-page":"11754","DOI":"10.1021\/acs.jpcc.7b09275","volume":"122","author":"Khan","year":"2018","journal-title":"J. Phys. Chem. C"},{"key":"D3CC03277A\/cit33\/1","doi-asserted-by":"crossref","first-page":"8731","DOI":"10.1021\/acscatal.9b02213","volume":"9","author":"Li","year":"2019","journal-title":"ACS Catal."},{"key":"D3CC03277A\/cit34\/1","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1134\/S0023158406030104","volume":"47","author":"Zaikovskii","year":"2006","journal-title":"Kinet. Catal."},{"key":"D3CC03277A\/cit35\/1","doi-asserted-by":"crossref","first-page":"731","DOI":"10.1016\/j.apcatb.2015.04.052","volume":"176\u2013177","author":"Tempelman","year":"2015","journal-title":"Appl. Catal., B"},{"key":"D3CC03277A\/cit36\/1","doi-asserted-by":"crossref","first-page":"063204","DOI":"10.1116\/6.0000412","volume":"38","author":"Stevie","year":"2020","journal-title":"J. Vac. Sci. Technol., A"},{"key":"D3CC03277A\/cit37\/1","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1016\/j.catcom.2017.10.008","volume":"103","author":"Tan","year":"2018","journal-title":"Catal. Commun."},{"key":"D3CC03277A\/cit38\/1","doi-asserted-by":"crossref","first-page":"2571","DOI":"10.1002\/cctc.201800002","volume":"10","author":"Sridhar","year":"2018","journal-title":"ChemCatChem"},{"key":"D3CC03277A\/cit39\/1","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1023\/A:1019087313679","volume":"57","author":"Jiang","year":"1999","journal-title":"Catal. Lett."},{"key":"D3CC03277A\/cit40\/1","doi-asserted-by":"crossref","first-page":"544","DOI":"10.1002\/cctc.201901655","volume":"12","author":"Vollmer","year":"2020","journal-title":"ChemCatChem"},{"key":"D3CC03277A\/cit41\/1","doi-asserted-by":"crossref","first-page":"21427","DOI":"10.1039\/D0RA03365K","volume":"10","author":"Saito","year":"2020","journal-title":"RSC Adv."},{"key":"D3CC03277A\/cit42\/1","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1016\/j.apcata.2014.06.018","volume":"482","author":"Song","year":"2014","journal-title":"Appl. Catal. A"},{"key":"D3CC03277A\/cit43\/1","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1016\/j.jcat.2015.07.017","volume":"330","author":"Song","year":"2015","journal-title":"J. Catal."},{"key":"D3CC03277A\/cit44\/1","doi-asserted-by":"crossref","first-page":"266","DOI":"10.1016\/j.apcata.2006.10.037","volume":"317","author":"Song","year":"2007","journal-title":"Appl. Catal., A"},{"key":"D3CC03277A\/cit45\/1","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1016\/j.apcata.2016.01.044","volume":"515","author":"Martinez","year":"2016","journal-title":"Appl. Catal. A"},{"key":"D3CC03277A\/cit46\/1","doi-asserted-by":"crossref","first-page":"520","DOI":"10.1021\/acscatal.6b02497","volume":"7","author":"Kosinov","year":"2017","journal-title":"ACS Catal."},{"key":"D3CC03277A\/cit47\/1","doi-asserted-by":"crossref","first-page":"11398","DOI":"10.1021\/acs.iecr.7b02213","volume":"56","author":"Sun","year":"2017","journal-title":"Ind. Eng. Chem. Res."},{"key":"D3CC03277A\/cit48\/1","doi-asserted-by":"crossref","first-page":"11713","DOI":"10.1039\/D0CP01506G","volume":"22","author":"Gaur","year":"2020","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D3CC03277A\/cit49\/1","doi-asserted-by":"crossref","first-page":"3094","DOI":"10.1039\/b104011c","volume":"11","author":"Xiao","year":"2001","journal-title":"J. Mater. Chem."}],"container-title":["Chemical Communications"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2023\/CC\/D3CC03277A","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,9,21]],"date-time":"2023-09-21T06:52:00Z","timestamp":1695279120000},"score":1,"resource":{"primary":{"URL":"http:\/\/xlink.rsc.org\/?DOI=D3CC03277A"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023]]},"references-count":49,"URL":"http:\/\/dx.doi.org\/10.1039\/d3cc03277a","relation":{},"ISSN":["1359-7345","1364-548X"],"issn-type":[{"value":"1359-7345","type":"print"},{"value":"1364-548X","type":"electronic"}],"subject":["Materials Chemistry","Metals and Alloys","Surfaces, Coatings and Films","General Chemistry","Ceramics and Composites","Electronic, Optical and Magnetic Materials","Catalysis"],"published":{"date-parts":[[2023]]}}}</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">05.10.2023</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Stefan Peters</author>
    <author>Benny Kunkel</author>
    <author>Cafer Tufan Cakir</author>
    <author>Anke Kabelitz</author>
    <author>Steffen Witte</author>
    <author>Thomas Bernstein</author>
    <author>Stephan Bartling</author>
    <author>Martin Radtke</author>
    <author>Franziska Emmerling</author>
    <author>Ali Mohamed Abdel-Mageed</author>
    <author>Sebastian Wohlrab</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dispersive XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Catalysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Structure analysis</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="institutes" number="">9 Komponentensicherheit</collection>
    <collection role="institutes" number="">9.2 Versuchsanlagen und Prüftechnik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/58492/d3cc03277a.pdf</file>
  </doc>
  <doc>
    <id>54009</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1221</pageFirst>
    <pageLast>1229</pageLast>
    <pageNumber/>
    <edition/>
    <issue>11</issue>
    <volume>7</volume>
    <type>article</type>
    <publisherName>Wiley Online Library</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Local Structure of Europium-Doped Luminescent Strontium Fluoride Nanoparticles: Comparative X-ray Absorption Spectroscopy and Diffraction Study</title>
    <abstract language="eng">Rare-earth based luminescent materials are key functional components for the rational design of light-conversion smart devices. Stable Eu3+-doped strontium fluoride (SrF2) nanoparticles were prepared at room temperature in ethylene glycol. Their luminescence depends on the Eu content and changes after heat treatment. The crystallinity of heat-treated material increases in comparison with as-synthesized samples. Particles were investigated in solution using X-ray diffraction, small-angle X-ray scattering, and X-ray spectroscopy. After heat treatment, the size of the disordered nanoparticles increases together with a change of their local structure. Interstitial fluoride ions can be localized near Eu3+ ions. Therefore, non-radiative relaxation from other mechanisms is decreased. Knowledge about the cation distribution is key information for understanding the luminescence properties of any material.</abstract>
    <parentTitle language="eng">ChemNanoMat</parentTitle>
    <identifier type="doi">10.1002/cnma.202100281</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-540094</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">13.12.2021</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Kirill Yusenko</author>
    <author>Anke Kabelitz</author>
    <author>Alexander Schokel</author>
    <author>Ralf Wagner</author>
    <author>Carsten Prinz</author>
    <author>E Kemnitz</author>
    <author>Franziska Emmerling</author>
    <author>Thoralf Krahl</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SrF2</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>EXAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Eu</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/54009/cnma.202100281.pdf</file>
  </doc>
  <doc>
    <id>35137</id>
    <completedYear/>
    <publishedYear>2015</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>8463</pageFirst>
    <pageLast>8470</pageLast>
    <pageNumber/>
    <edition/>
    <issue>44</issue>
    <volume>17</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace>London, UK</publisherPlace>
    <creatingCorporation>Royal Society of Chemistry</creatingCorporation>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Time-resolved in situ studies on the formation mechanism of iron oxide nanoparticles using combined fast-XANES and SAXS</title>
    <abstract language="eng">The reaction of iron chlorides with an alkaline reagent is one of the most prominent methods for the synthesis of iron oxide nanoparticles. We studied the particle formation mechanism using triethanolamine as reactant and stabilizing agent. In situ fast-X-ray absorption near edge spectroscopy and small-angle X-ray scattering provide information on the oxidation state and the structural information at the same time. In situ data were complemented by ex situ transmission electron microscopy, wide-angle X-ray scattering and Raman analysis of the formed nanoparticles. The formation of maghemite nanoparticles (γ-Fe2O3) from ferric and ferrous chloride was investigated. Prior to the formation of these nanoparticles, the formation and conversion of intermediate phases (akaganeite, iron(II, III) hydroxides) was observed which undergoes a morphological and structural collapse. The thus formed small magnetite nanoparticles (Fe3O4) grow further and convert to maghemite with increasing reaction time.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="old">38291</identifier>
    <identifier type="doi">10.1039/C5CE01585E</identifier>
    <identifier type="issn">1466-8033</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-351376</identifier>
    <enrichment key="date_peer_review">17.12.2015</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>Anke Kabelitz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Maike Joester</author>
    <author>Uwe Reinholz</author>
    <author>Martin Radtke</author>
    <author>Ralf Bienert</author>
    <author>K. Schulz</author>
    <author>R. Schmack</author>
    <author>R. Kraehnert</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>oxidation state</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>structural information</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>maghemite</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/35137/Time-resolved in situ studies on the formation mechanism of iron oxide nanoparticles using combined fast-XANES and SAXS_Kabelitz.pdf</file>
  </doc>
  <doc>
    <id>43560</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1700960, 1</pageFirst>
    <pageLast>1700960, 7</pageLast>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>5</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Nanocasting of superparamagnetic iron oxide films with ordered mesoporosity</title>
    <abstract language="eng">Maghemite and magnetite show superparamagnetic behavior when synthesized in a nanostructured form. The material’s inducible magnetization enables applications ranging from contrast enhancing agents for magnetic resonance imaging to drug delivery systems, magnetic hyperthermia, and separation. Superparamagnetic iron oxides with templated porosity have been synthesized so far only in the form of hard-templated powders, where silicon retained from the template severely degrades the material’s magnetic properties. Here, for the first time, the synthesis of superparamagnetic iron oxides with soft-templated mesopore structure is reported. The synthesis of nanostructured maghemite and magnetite films succeeds using micelles of amphiphilic block-copolymers as templates. A thermal treatment of the initially formed mesoporous ferrihydrite in nitrogen produces maghemite, which can be partly reduced to magnetite via thermal treatment in hydrogen while retaining the templated mesopore structure. The resulting materials feature a unique combination of high surface area, controlled pore diameter, and tunable magnetic properties.</abstract>
    <parentTitle language="eng">Advanced Materials Interfaces</parentTitle>
    <identifier type="doi">10.1002/admi.201700960</identifier>
    <identifier type="issn">2196-7350</identifier>
    <enrichment key="date_peer_review">16.02.2018</enrichment>
    <author>K. Kraffert</author>
    <author>Anke Kabelitz</author>
    <author>K. Siemensmeyer</author>
    <author>R. Schmack</author>
    <author>D. Bernsmeier</author>
    <author>Franziska Emmerling</author>
    <author>R. Kraehnert</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Iron oxide films</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mesoporosity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Soft-templated</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>48552</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>639</pageFirst>
    <pageLast>648</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>170</volume>
    <type>article</type>
    <publisherName>Elsevier Ltd.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Early stage in situ detection of polynuclear aluminum phases in aqueous solution</title>
    <abstract language="eng">Polynuclear cationic aluminum hydroxide phases are known intermediates in the formation of aluminum oxides or (oxide) ydroxides upon hydrolysis of aluminum salt solutions. In the presence of sulfate anions, these aluminum polyoxocations (Al13) can form crystalline Al13 sulfates with varying chemical composition.&#13;
The formation of these Al13 sulfates in aqueous solution has been poorly understood. Here, we investigate the early stage crystallization of Al13 clusters in a sulfate-containing solution, in situ and in real time. Dynamics associated with Al13 sulfate formation have been obtained for the first time, using Synchrotron X-ray diffraction (XRD) of solutions suspended by acoustic levitation. Time-resolved in situ data show that the cubic phase, Na [(AlO4)Al12(OH)24(H2O)12](SO4)4*10H2O, forms after only minutes. The Formation mechanism of Al13 sulfates was found to depend on the sulfate:aluminum (SO4:Al) ratio. Ex situ XRD of the product Al13 sulfates in solution shows that for SO4:Al ratio ≤ 1.5 two other crystalline phases form, and convert to the cubic phase upon washing and drying. In situ XRD for the same ratio shows transient formation of an intermediate during the crystallization process.</abstract>
    <parentTitle language="eng">Polyhedron</parentTitle>
    <identifier type="doi">10.1016/j.poly.2019.05.049</identifier>
    <enrichment key="date_peer_review">24.10.2019</enrichment>
    <author>Anke Kabelitz</author>
    <author>H. A. Dinh</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polyoxocation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Acoustic levitation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchroton x-ray diffraction</value>
    </subject>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>51819</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>6831</pageFirst>
    <pageLast>6846</pageLast>
    <pageNumber/>
    <edition/>
    <issue>10</issue>
    <volume>20</volume>
    <type>article</type>
    <publisherName>American Chemical Society</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Monitoring a Mechanochemical Syntheses of Isostructural Luminescent Cocrystals of 9-Anthracenecarboxylic Acid with two Dipyridines Coformers</title>
    <abstract language="eng">Amorphous calcium carbonate (ACC) is an important precursor in the biomineralization of crystalline CaCO3. In nature, it serves as a storage material or as a permanent structural element, whose lifetime is regulated by an organic matrix. The relevance of ACC in materials science is primarily related to our understanding of CaCO3 crystallization pathways and CaCO3/(bio)polymer nanocomposites. ACC can be synthesized by liquid–liquid phase separation, and it is typically stabilized with macromolecules. We have prepared ACC by milling calcite in a planetary ball mill. Phosphate “impurities” were added in the form of monetite (CaHPO4) to substitute the carbonate anions, thereby stabilizing ACC by substitutional disorder. The phosphate anions do not simply replace the carbonate anions. They undergo shear-driven acid/base and condensation reactions, where stoichiometric (10%) phosphate contents are required for the amorphization to be complete. The phosphate anions generate a strained network that hinders ACC recrystallization kinetically. The amorphization reaction and the structure of BM-ACC were studied by quantitative Fourier transform infrared spectroscopy and solid state 31P, 13C, and 1H magic angle spinning nuclear magnetic resonance spectroscopy, which are highly sensitive to symmetry changes of the local environment. In the first—and fast—reaction step, the CO32– anions are protonated by the HPO42– groups. The formation of unprecedented hydrogen carbonate (HCO3–) and orthophosphate anions appears to be the driving force of the reaction, because the phosphate group has a higher Coulomb energy and the tetrahedral PO43– unit can fill space more efficiently. In a competing second—and slow—reaction step, pyrophosphate anions are formed in a condensation reaction. No pyrophosphates are formed at higher carbonate contents. High strain leads to such a large energy barrier that any reaction is suppressed. Our findings aid in the understanding of the mechanochemical amorphization of calcium carbonate and emphasize the effect of impurities for the stabilization of the amorphous phases in general. Our approach allowed the synthesis of new amorphous alkaline earth defect variants containing the unique HCO3– anion. Our approach outlines a general strategy to obtain new amorphous solids for a variety of carbonate/phosphate systems that offer promise as biomaterials for bone regeneration.</abstract>
    <parentTitle language="eng">Crystal Growth and Design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.0c00912</identifier>
    <enrichment key="date_peer_review">14.12.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>P. Opitz</author>
    <author>M. Asta</author>
    <author>A. Fernandez-Martinez</author>
    <author>M. Panthöfer</author>
    <author>Anke Kabelitz</author>
    <author>Franziska Emmerling</author>
    <author>M. Mondeshki</author>
    <author>W. Tremel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PDF</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
</export-example>
