TY - JOUR A1 - Ehlert, Christopher A1 - Holzweber, Markus A1 - Lippitz, Andreas A1 - Unger, Wolfgang A1 - Saalfrank, Peter T1 - A detailed assignment of NEXAFS resonances of imidazolium based ionic liquids N2 - In Near Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy X-Ray photons are used to excite tightly bound core electrons to low-lying unoccupied orbitals of the system. This technique offers insight into the electronic structure of the system as well as useful structural information. In this work, we apply NEXAFS to two kinds of imidazolium based ionic liquids ([CnC₁im]⁺[NTf₂]⁻ and [C₄C₁im]⁺[I]⁻). A combination of measurements and quantum chemical calculations of C K and N K NEXAFS resonances is presented. The simulations, based on the transition potential density functional theory method (TP-DFT), reproduce all characteristic features observed by the experiment. Furthermore, a detailed assignment of resonance features to excitation centers (carbon or nitrogen atoms) leads to a consistent interpretation of the spectra. KW - Ionic liquids KW - NEXAFS KW - DFT spectrum simulations PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-367223 DO - https://doi.org/10.1039/c5cp07434g SN - 1463-9076 SN - 1463-9084 VL - 18 IS - 12 SP - 8654 EP - 8661 PB - Royal Society of Chemistry CY - Cambridge, UK AN - OPUS4-36722 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schwarz, F. A1 - Heinrich, Thomas A1 - Lippitz, Andreas A1 - Unger, Wolfgang A1 - Schalley, C. T1 - A photoswitchable rotaxane operating in monolayers on solid support N2 - A novel photoswitchable rotaxane was synthesised and its switching behaviour in solution was analysed with NMR and UV-Vis. A monolayer of rotaxanes was deposited on glass surfaces and the on-surface photoswitching was investigated. Angle-resolved NEXAFS spectra revealed a preferential orientation that reversibly changes upon switching. KW - XPS KW - NEXAFS KW - Photoswitchable rotaxane KW - Self assembly PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-386814 DO - https://doi.org/10.1039/c6cc08586e SN - 0022-4936 SN - 1364-548X SN - 0009-241x SN - 1359-7345 VL - 52 IS - 100 SP - 14458 EP - 14461 PB - Royal Society of Chemistry (RSC) AN - OPUS4-38681 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Unger, Wolfgang A1 - Beiranvand, Z. A1 - Kakanejadifard, A. A1 - Donskyi, Ievgen A1 - Faghani, A. A1 - Tu, Z. A1 - Lippitz, Andreas A1 - Sasanpour, P. A1 - Maschietto, F. A1 - Paulus, B. A1 - Haag, R. A1 - Adeli, M. T1 - Functionalization of fullerene at room temperature: toward new carbon vectors with improved physicochemical properties N2 - In this work, fullerene has been functionalized with cyanuric Chloride at room temperature by a nitrene mediated [2 + 1] cycloaddition reaction. The adduct after functionalization is inherently in the form of azafulleroid and shows broad UV absorption in the wavelength range of 200–800 nm, as well as photothermal conversion and fluorescence with a high quantum yield. KW - Functionalization of fullerenes KW - XPS KW - NEXAFS PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-387076 DO - https://doi.org/10.1039/c6ra23419d SN - 2046-2069 VL - 6 IS - 114 SP - 112771 EP - 112775 PB - Royal Society of Chemistry (RSC) AN - OPUS4-38707 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Unger, Wolfgang T1 - Non-destructive surface measurements N2 - Materials and chemical producers require detailed knowledge of surface chemistry for research into new products. One way to understand a surface without damaging it is to bombard it with an electron beam, causing its atoms to emit characteristic X-rays enabling identification. The measurement of these must be precise as many elements emissions are close in energy – traceable reference materials will ensure instruments using this technique are stable and accurate. KW - Metrology KW - EDS KW - EDX PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-388647 UR - http://www.euramet.org/metrology-for-societys-challenges/metrology-for-industry/impact-case-studies-emrp-industry-theme/ SP - 1 EP - 2 CY - Teddington AN - OPUS4-38864 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Unger, Wolfgang T1 - IND15 JRP SurfChem: Traceable quantitative surface chemical analysis for industrial applications N2 - The SurfChem project has made a significant contribution to traceable quantitative surface chemical analysis for industrial applications by delivering new certified reference materials and test samples for specific technical applications. Regular performance tests of instruments, metrological methodology for the detection of (bio)organic surface species, ambient and non-destructive surface chemical analysis for in-line process control and new in situ characterisation techniques of catalytically active surfaces have been achieved. KW - Surface analysis KW - Metrology KW - Euramet EMRP PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-388673 UR - http://www.euramet.org/research-innovation/search-research-projects/details/?eurametCtcp_project_show%5Bproject%5D=1115&eurametCtcp_project%5Bback%5D=893&cHash=5fd23fc7f759db18176584b5d8a5fe89 SP - 1 EP - 39 CY - Teddington AN - OPUS4-38867 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sobol, Oded A1 - Straub, F. A1 - Wirth, Thomas A1 - Holzlechner, G. A1 - Böllinghaus, Thomas A1 - Unger, Wolfgang T1 - Real Time Imaging of Deuterium in a Duplex Stainless Steel Microstructure by Time-of-Flight SIMS N2 - For more than one century, hydrogen assisted degradation of metallic microstructures has been identified as origin for severe technical component failures but the mechanisms behind have not yet been completely understood so far. Any in-situ observation of hydrogen transport phenomena in microstructures will provide more details for further elucidation of these degradation mechanisms. A novel experiment is presented which is designed to elucidate the permeation behaviour of deuterium in a microstructure of duplex stainless steel (DSS). A hydrogen permeation cell within a TOF-SIMS instrument enables electrochemical charging with deuterium through the inner surface of the cell made from DSS. The outer surface of the DSS permeation cell exposed to the vacuum has been imaged by TOF-SIMS vs. increasing time of charging with subsequent chemometric treatment of image data. This in-situ experiment showed evidently that deuterium is permeating much faster through the ferrite phase than through the austenite phase. Moreover, a direct proof for deuterium enrichment at the austenite-ferrite interface has been found. KW - Characterization and analytical techniques KW - Corrosion KW - Imaging technique KW - Mass spectrometry PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-353872 UR - http://www.nature.com/articles/srep19929 DO - https://doi.org/10.1038/srep19929 SN - 2045-2322 VL - 6 IS - 19929 SP - 1 EP - 7 PB - nature publishing group CY - London, United Kingdom AN - OPUS4-35387 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Guo, Y. A1 - Lippitz, Andreas A1 - Saftien, P. A1 - Unger, Wolfgang A1 - Kemnitz, E. T1 - Tuning the surface properties of novel ternary iron(III) fluoride-based catalysts using the template effect of the matrix N2 - Sol–gel prepared ternary FeF3–MgF2 materials have become promising heterogeneous catalysts due to their porosity and surface Lewis/Brønsted acidity (bi-acidity). Despite the good catalytic performance, nanoscopic characterisations of this type of material are still missing and the key factors controlling the surface properties have not yet been identified, impeding both a better understanding and further development of ternary fluoride catalysts. In this study, we characterised the interaction between the bi-acidic component (FeF3) and the matrix (MgF2) on the nano-scale. For the first time, the formation pathway of FeF3–MgF2 was profiled and the template effect of MgF2 during the synthesis process was discovered. Based on these new insights two novel materials, FeF3–CaF2 and FeF3–SrF2, were established, revealing that with decreasing the atomic numbers (from Sr to Mg), the ternary fluorides exhibited increasing surface acidity and surface area but decreasing pore size. These systematic changes gave rise to a panel of catalysts with tuneable surface and bulk properties either by changing the matrix alkaline earth metal fluoride or by adjusting their ratios to Fe or both. The template effect of the alkaline earth metal fluoride matrix was identified as the most probable key factor determining the surface properties and further influencing the catalytic performance in ternary fluoride based catalysts, and paves the way to targeted design of next-generation catalysts with tunable properties. KW - Catalysis KW - Surface analysis KW - XPS PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-327410 DO - https://doi.org/10.1039/c4dt03229b SN - 1477-9226 SN - 1477-9234 SN - 1364-5447 VL - 44 IS - 11 SP - 5076 EP - 5085 PB - RSC CY - Cambridge AN - OPUS4-32741 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Neukammer, J. A1 - Hussels, M. A1 - Kummrow, A. A1 - Devonshire, A. A1 - Foy, C. A1 - Huggett, J. A1 - Parkes, H. A1 - Zel, J. A1 - Milavec, M. A1 - Schimmel, H. A1 - Unger, Wolfgang A1 - Akgoz, M. A1 - McHugh, V. A1 - Grunert, H.-P. A1 - Zeichhardt, H. T1 - Survey results on nucleic acid tests of infectious diseases: present status and need for rapid and patient near diagnostics N2 - This survey will discuss current and emerging isothermal and rapid polymerase chain reaction (PCR) based nucleic acid amplification methods for patient near diagnostics. To assess the clinical need of rapid diagnostics for infectious diseases based on nucleic acid tests (NATs) we performed and analysed a questionnaire among laboratories participating in corresponding INSTAND ring trials for external quality assurance. The questions concerning new amplification technologies like isothermal nucleic acid amplification, potentially suited to significantly decrease turnaround times, were complemented by questions to evaluate the present status of NATs. Besides end-users, companies were also addressed by sending out a manufacturer specific questionnaire. Analysis of the answers from 48 laboratories in 14 European countries revealed that a much shorter turnaround time is requested for selected pathogens compared to about 2 h or longer when applying temperature cycling amplification, i.e. PCR. In this context, most frequently mentioned were MRSA, norovirus, influenza A and B viruses, cytomegalovirus (CMV) as well as hepatitis B virus (HBV) and hepatitis C virus (HCV). At present, 8% of the laboratories having participated in this survey apply isothermal amplification of nucleic acid to identify infectious pathogens. KW - Nucleic acid tests KW - Infectious diseases KW - Virus detection KW - Bacteria detection KW - Isothermal nucleic acid amplification KW - Status report KW - Questionnaire KW - NAT KW - PCR PY - 2014 UR - https://nbn-resolving.org/urn:nbn:de:0183-lab0000160 UR - http://www.egms.de/static/en/journals/lab/2015-6/lab000016.shtml DO - https://doi.org/10.3205/lab000016 SN - 1869-4241 VL - 6 SP - 1 EP - 11 PB - GMS CY - Düsseldorf AN - OPUS4-36133 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ehlert, Christopher A1 - Unger, Wolfgang A1 - Saalfrank, P. T1 - C K-edge NEXAFS spectra of graphene with physical and chemical defects: a study based on density functional theory N2 - Recently, C K-edge Near Edge X-ray Absorption Fine Structure (NEXAFS) spectra of graphite (HOPG) surfaces have been measured for the pristine material, and for HOPG treated with either bromine or krypton plasmas (Lippitz et al., Surf. Sci., 2013, 611, L1). Changes of the NEXAFS spectra characteristic for physical (krypton) and/or chemical/physical modifications of the surface (bromine) upon plasma treatment were observed. Their molecular origin, however, remained elusive. In this work we study by density functional theory, the effects of selected point and line defects as well as chemical modifications on NEXAFS carbon K-edge spectra of single graphene layers. For Br-treated surfaces, also Br 3d X-ray Photoelectron Spectra (XPS) are simulated by a cluster approach, to identify possible chemical modifications. We observe that some of the defects related to plasma treatment lead to characteristic changes of NEXAFS spectra, similar to those in experiment. Theory provides possible microscopic origins for these changes. KW - Graphene KW - NEXAFS KW - Spectrum simulation KW - Density functional theory PY - 2014 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-309658 DO - https://doi.org/10.1039/c4cp01106f SN - 1463-9076 SN - 1463-9084 VL - 16 IS - 27 SP - 14083 EP - 14095 PB - The Royal Soc. of Chemistry CY - Cambridge AN - OPUS4-30965 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mozetic, M. A1 - Ostrikov, K. A1 - Ruzic, D.N. A1 - Curreli, D. A1 - Cvelbar, U. A1 - Vesel, A. A1 - Primc, G. A1 - Leisch, M. A1 - Jousten, K. A1 - Malyshev, O.B. A1 - Hendricks, J.H. A1 - Kövér, L. A1 - Tagliaferro, A. A1 - Conde, O. A1 - Silvestre, A.J. A1 - Giapintzakis, J. A1 - Buljan, M. A1 - Radic, N. A1 - Drazic, G. A1 - Bernstorff, S. A1 - Biedermann, H. A1 - Kylián, O. A1 - Hanus, J. A1 - Milosevic, S. A1 - Galtayries, A. A1 - Dietrich, Paul A1 - Unger, Wolfgang A1 - Lehocky, M. A1 - Sedlarik, V. A1 - Stana-Kleinschek, K. A1 - Drmota-Petric, A. A1 - Pireaux, J.J. A1 - Rogers, J.W. A1 - Anderle, M. T1 - Recent advances in vacuum sciences and applications N2 - Recent advances in vacuum sciences and applications are reviewed. Novel optical interferometer cavity devices enable pressure measurements with ppm accuracy. The innovative dynamic vacuum standard allows for pressure measurements with temporal resolution of 2 ms. Vacuum issues in the construction of huge ultra-high vacuum devices worldwide are reviewed. Recent advances in surface science and thin films include new phenomena observed in electron transport near solid surfaces as well as novel results on the properties of carbon nanomaterials. Precise techniques for surface and thin-film characterization have been applied in the conservation technology of cultural heritage objects and recent advances in the characterization of biointerfaces are presented. The combination of various vacuum and atmospheric-pressure techniques enables an insight into the complex phenomena of protein and other biomolecule conformations on solid surfaces. Studying these phenomena at solid–liquid interfaces is regarded as the main issue in the development of alternative techniques for drug delivery, tissue engineering and thus the development of innovative techniques for curing cancer and cardiovascular diseases. A review on recent advances in plasma medicine is presented as well as novel hypotheses on cell apoptosis upon treatment with gaseous plasma. Finally, recent advances in plasma nanoscience are illustrated with several examples and a roadmap for future activities is presented. KW - Vacuum KW - Surface KW - Plasma KW - Interface KW - Nanoscience PY - 2014 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-304884 DO - https://doi.org/10.1088/0022-3727/47/15/153001 SN - 0022-3727 SN - 1361-6463 VL - 47 IS - 15 SP - 153001-1 EP - 153001-23 PB - IOP Publ. CY - Bristol AN - OPUS4-30488 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -