@misc{SchoeneichSchmidt, author = {Sch{\"o}neich, Michael and Schmidt, Peer}, title = {Kinetics of phase formation in solid - gas reactions: Iron and Arsenic}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {638}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {10}, doi = {10.1002/zaac.201204026}, pages = {S. 1579}, abstract = {Based on the experience of thermo-chemical studies on a High-Temperature Gas-Balance a time dependent analysis has been developed for the investigations of the kinetics of solid-gas reactions. The course of solid-gas reactions can be examined unambiguously by separation of the initial solids. By this setup the visualization of different stages of solid-gas reaction (vaporization, phase formation) becomes feasible. Time dependent analysis of the formation of FeAs results in an assignment of the underlying principles of kinetics derived from the conversion factor α.}, language = {en} } @misc{SchmidtSchoeneichNilgesetal., author = {Schmidt, Peer and Sch{\"o}neich, Michael and Nilges, Tom and Weihrich, Richard}, title = {Identification of Metastable States in Heterogeneous Phase Formation}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {638}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {10}, doi = {10.1002/zaac.201204134}, pages = {S. 1633}, language = {en} } @misc{SeyedashrafiRavankhahWeidneretal., author = {Seyedashrafi, Baharak and Ravankhah, Mohammad and Weidner, Silke and Schmidt, Michael}, title = {Applying Heritage Impact Assessment to urban development: World Heritage property of Masjed-e Jame of Isfahan in Iran}, series = {Sustainable Cities and Society}, volume = {31}, journal = {Sustainable Cities and Society}, issn = {2210-6707}, doi = {10.1016/j.scs.2017.01.002}, pages = {213 -- 224}, abstract = {Despite cultural heritage has being affected by construction and infrastructure projects associated with urban development in historic cities worldwide, protection of such irreplaceable assets and their associated values has not been adequately addressed through a comprehensive methodology of impact assessment. This paper aims to review the existing methodologies, approaches, and tools regarding Heritage Impact Assessment (HIA) methodology, and to develop an impact assessment procedure in the context of new urban development. The methodology is applied to the case of Masjed-e Jame of Isfahan. The required data is collected through a fieldwork for identification and classification of impacts of Atiq project on the property. Subsequently, the collected data is analysed through impact assessment matrix, and eventually, appropriated mitigation strategies to reduce negative impacts on the property are determined. The proposed impact assessment methodology in the HIA procedure provides a systematic framework for identifying, assessing and mitigating potential impacts of new urban development on cultural heritage properties, which is supportive for urban planners, cultural decision makers, heritage conservators and experts toward developing more integrated approach to heritage protection in context of sustainable development.}, language = {en} } @misc{MovagharLinneOevermannetal., author = {Movaghar, Amirreza and Linne, Mark and Oevermann, Michael and Meiselbach, Falko T. and Schmidt, Heiko and Kerstein, Alan R.}, title = {Numerical investigation of turbulent-jet primary breakup using One-Dimensional Turbulence}, series = {International Journal of Multiphase Flow}, volume = {89}, journal = {International Journal of Multiphase Flow}, issn = {1879-3533}, pages = {241 -- 254}, abstract = {Primary breakup to form droplets at liquid surfaces is an important fundamental process to study as it determines the initial properties of the dispersed phase, which affect mixing rates, secondary breakup, droplet collisions, and flow separation within the dispersed flow region. Primary breakup can be regarded as one of the least developed model components for simulating and predicting liquid jet breakup. How- ever, it is of paramount importance in many technical applications, e.g. fuel injection in engines and spray painting. This paper presents a numerical investigation of primary breakup of a turbulent liquid jet in still air at standard conditions using the one-dimensional turbulence (ODT) modeling framework. ODT is a stochastic model that simulates turbulent flow evolution along a notional 1D line of sight by applying instantaneous maps to represent the effect of individual turbulent eddies on property profiles. An important feature of ODT is the resolution of all relevant scales, both temporal and spatial. The restriction to one spatial dimension in ODT permits affordable high resolution of interfacial and single-phase property gradients, which is key to capturing the local behavior of the breakup process and allows simulations at high Reynolds and Weber numbers that are currently not accessible to direct numerical simulations (DNS). This paper summarizes our extensions of the ODT model to simulate geometrically simple jet breakup problems, including representations of Rayleigh wave breakup, turbulent breakup, and shear-driven breakup. Each jet breakup simulation consists of a short temporal channel section to initialize a turbulent velocity profile at the nozzle exit followed by an adjacent jet section. The simulations are carried out for jet exit Reynolds number of 11,500, 23,000, 46,000 and 92,000 while the Weber number is varied within the range 102-107. We present results on breakup statistics including spatial locations of droplet release, droplet sizes and liquid core length. The results on primary breakup are compared to experimental results and models.}, language = {en} } @misc{SchierackWielerTarasetal., author = {Schierack, Peter and Wieler, Lothar H. and Taras, David and Herwig, Volker and Tachu, Babila and Hlinak, Andreas and Schmidt, Michael F. G. and Scharek, Lydia}, title = {Bacillus cereus var. toyoi enhanced systemic immune response in piglets.}, series = {Veterinary immunology and immunopathology}, volume = {118}, journal = {Veterinary immunology and immunopathology}, number = {1-2}, issn = {1873-2534}, doi = {10.1016/j.vetimm.2007.03.006}, pages = {1 -- 11}, language = {en} } @misc{LignellLansingerMedinaMendezetal., author = {Lignell, David O. and Lansinger, Victoria B. and Medina M{\´e}ndez, Juan Ali and Klein, Marten and Kerstein, Alan R. and Schmidt, Heiko and Fistler, Marco and Oevermann, Michael}, title = {One-dimensional turbulence modeling for cylindrical and spherical flows: model formulation and application}, series = {Theoretical and Computational Fluid Dynamics}, volume = {32}, journal = {Theoretical and Computational Fluid Dynamics}, number = {4}, issn = {0935-4964}, doi = {10.1007/s00162-018-0465-1}, pages = {495 -- 520}, abstract = {The one-dimensional turbulence (ODT) model resolves a full range of time and length scales and is computationally efficient. ODT has been applied to a wide range of complex multi-scale flows, such as turbulent combustion. Previous ODT comparisons to experimental data have focused mainly on planar flows. Applications to cylindrical flows, such as round jets, have been based on rough analogies, e.g., by exploiting the fortuitous consistency of the similarity scalings of temporally developing planar jets and spatially developing round jets. To obtain a more systematic treatment, a new formulation of the ODT model in cylindrical and spherical coordinates is presented here. The model is written in terms of a geometric factor so that planar, cylindrical, and spherical configurations are represented in the same way. Temporal and spatial versions of the model are presented. A Lagrangian finite-volume implementation is used with a dynamically adaptive mesh. The adaptive mesh facilitates the implementation of cylindrical and spherical versions of the triplet map, which is used to model turbulent advection (eddy events) in the one-dimensional flow coordinate. In cylindrical and spherical coordinates, geometric stretching of the three triplet map images occurs due to the radial dependence of volume, with the stretching being strongest near the centerline. Two triplet map variants, TMA and TMB, are presented. In TMA, the three map images have the same volume, but different radial segment lengths. In TMB, the three map images have the same radial segment lengths, but different segment volumes. Cylindrical results are presented for temporal pipe flow, a spatial nonreacting jet, and a spatial nonreacting jet flame. These results compare very well to direct numerical simulation for the pipe flow, and to experimental data for the jets. The nonreacting jet treatment overpredicts velocity fluctuations near the centerline, due to the geometric stretching of the triplet maps and its effect on the eddy event rate distribution. TMB performs better than TMA. A hybrid planar-TMB (PTMB) approach is also presented, which further improves the results. TMA, TMB, and PTMB are nearly identical in the pipe flow where the key dynamics occur near the wall away from the centerline. The jet flame illustrates effects of variable density and viscosity, including dilatational effects.}, language = {en} } @inproceedings{BeckmannGuentherSchmidtetal., author = {Beckmann, Jens and G{\"u}nther, David and Schmidt, Peer and Sch{\"o}neich, Michael and Klepel, Olaf}, title = {Template assisted synthesis of porous carbon materials using porous concrete as a template}, series = {5th International Sypmosium on "Carbon on Catalysis", Books of abstracts, Bressanone/Brixen, 2012}, booktitle = {5th International Sypmosium on "Carbon on Catalysis", Books of abstracts, Bressanone/Brixen, 2012}, pages = {S. 94}, language = {en} } @misc{RudolffBattisSchmidt, author = {Rudolff, Britta and Battis, Eva and Schmidt, Michael}, title = {Circular Villages: Reflections based on a global comparative analysis}, series = {The Cultural Landscape of the Wendland Circular Villages}, journal = {The Cultural Landscape of the Wendland Circular Villages}, editor = {Machat, Christoph}, edition = {1}, publisher = {Geym{\"u}ller}, address = {Aachen, Berlin}, isbn = {978-3-943164-46-6}, pages = {94 -- 102}, language = {en} } @misc{SchmidtDunckerRudolffetal., author = {Schmidt, Michael and Duncker, Kerstin and Rudolff, Britta and Heese, Michelle}, title = {In search of OUV: A methodology for attribute mapping in the circular villages of Wendland}, series = {The Cultural Landscape of the Wendland Circular Villages}, journal = {The Cultural Landscape of the Wendland Circular Villages}, editor = {Machat, Christoph}, edition = {1}, publisher = {Geym{\"u}ller}, address = {Aachen, Berlin}, isbn = {978-3-943164-46-6}, pages = {83 -- 93}, language = {en} } @misc{ScholzSchoeneichSchmidt, author = {Scholz, Tanja and Sch{\"o}neich, Michael and Schmidt, Peer}, title = {Understanding Solid-State Phase-Formation Processes by Usingthe High-Temperature Gas Balance: The Example of Zr₂PTe₂}, series = {European Journal of Inorganic Chemistry}, journal = {European Journal of Inorganic Chemistry}, number = {21}, doi = {10.1002/ejic.201900281}, pages = {2577 -- 2582}, abstract = {Inorganic solid-state synthesis with phosphorus and tellurium requires a careful control of the reaction parameters because of the high volatility of the components. This initial disadvantage can be used as a benefit for the investigation of phase formation mechanisms by analyzing the individual vapor pressure behavior. The high-temperature gas-balance is introduced as a device for detection of heterogeneous solid-gas equilibria in closed reaction systems. The experimentally challenging synthesis of the phosphide telluride Zr₂PTe₂ is examined as a model system: optimized synthesis runs at lower temperatures (ϑ = 650 °C) in a faster time, while the quantity as well as the crystalline powder quality is increased. A stepwise solid-solid reaction of zirconium and tellurium according to Ostwald's rule of stages and the shrinking core model is revealed while phosphorus sublimes and subsequently condenses to react to the ternary compound. Additional phenomena such as melting, expansion, and mechanical instabilities can be observed that broaden the possibilities of the gas- balance.}, language = {en} } @misc{PabstChangFinzeletal., author = {Pabst, Falk and Chang, Jen-Hui and Finzel, Kati and Kohout, Miroslav and Schmidt, Peer and Ruck, Michael}, title = {The Subbromide Bi5Br4 - On the Existence of a Hidden Phase}, series = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, volume = {646}, journal = {Zeitschrift f{\"u}r Anorganische und Allgemeine Chemie}, number = {3}, doi = {10.1002/zaac.201800149}, pages = {149 -- 155}, abstract = {Black and irregularly shaped crystals of the bismuth-rich bromide Bi5Br4 were obtained as a by-product of the reaction of CsBr, Bi, and BiBr3. X-ray diffraction on a single-crystal revealed its orthorhombic structure with the space group Pmmn (no. 59) and lattice parameters a = 1800.0(2) pm, b = 1476.1(1) pm, and c = 924.5(2) pm at 296 K. The structure is composed of Bi82+ and Bi95+ polycations and bromidobismuthate(III) anions according to the structured formula Bi5Br4 = Bi20Br16 = Bi82+Bi95+[BiBr5]2-[Bi2Br11]5-. Bi5Br4 is the bismuth-richest among the bismuth subhalides containing isolated polycations. Extensive differential scanning calorimetry studies indicate that Bi5Br4 decomposes at 262 °C, i.e. one degree below the bismuth-rich eutectic at 263 °C. All attempts towards a rational synthesis yielded predominantly the neighboring phases BiBr and Bi6Br7.}, language = {en} } @misc{BaehrBuhlRadowetal., author = {B{\"a}hr, Martin and Buhl, Johannes and Radow, Georg and Schmidt, Johannes and Bambach, Markus and Breuß, Michael and F{\"u}genschuh, Armin}, title = {Stable honeycomb structures and temperature based trajectory optimization for wire-arc additive manufacturing}, series = {Optimization and Engineering}, volume = {22}, journal = {Optimization and Engineering}, number = {2}, issn = {1573-2924}, doi = {10.1007/s11081-020-09552-5}, pages = {913 -- 974}, abstract = {We consider two mathematical problems that are connected and occur in the layer-wise production process of a workpiece using wire-arc additive manufacturing. As the first task, we consider the automatic construction of a honeycomb structure, given the boundary of a shape of interest. In doing this, we employ Lloyd's algorithm in two different realizations. For computing the incorporated Voronoi tesselation we consider the use of a Delaunay triangulation or alternatively, the eikonal equation. We compare and modify these approaches with the aim of combining their respective advantages. Then in the second task, to find an optimal tool path guaranteeing minimal production time and high quality of the workpiece, a mixed-integer linear programming problem is derived. The model takes thermal conduction and radiation during the process into account and aims to minimize temperature gradients inside the material. Its solvability for standard mixed-integer solvers is demonstrated on several test-instances. The results are compared with manufactured workpieces.}, language = {en} } @misc{HanschmannRoedigerKrameretal., author = {Hanschmann, Henning and R{\"o}diger, Stefan and Kramer, Toni and Hanschmann, Katrin and Steidle, Michael and Fingerle, Volker and Schmidt, Carsten and Lehmann, Werner and Schierack, Peter}, title = {LoopTag FRET Probe System for Multiplex qPCR Detection of Borrelia Species}, series = {Life}, volume = {11}, journal = {Life}, number = {11}, issn = {2075-1729}, doi = {10.3390/life11111163}, language = {en} } @book{BaehrBuhlRadowetal., author = {B{\"a}hr, Martin and Buhl, Johannes and Radow, Georg and Schmidt, Johannes and Bambach, Markus and Breuß, Michael and F{\"u}genschuh, Armin}, title = {Stable honeycomb structures and temperature based trajectory optimization for wire-arc additive manufacturing}, address = {Cottbus}, doi = {10.26127/btuopen-5079}, pages = {49}, language = {en} } @misc{EhrlingSenkovskaEfimovaetal., author = {Ehrling, Sebastian and Senkovska, Irena and Efimova, Anastasia and Bon, Volodymyr and Abylgazina, Leila and Petkov, Petko and Evans, Jack D. and Attallah, Ahmed Gamal and Wharmby, Michael Thomas and Roslova, Maria and Huang, Zhehao and Tanaka, Hideki and Wagner, Andreas and Schmidt, Peer and Kaskel, Stefan}, title = {Temperature Driven Transformation of the Flexible Metal-Organic Framework DUT-8(Ni)}, series = {Chemistry - a European journal}, volume = {28}, journal = {Chemistry - a European journal}, number = {55}, issn = {1521-3765}, doi = {10.1002/chem.202201281}, pages = {1 -- 10}, abstract = {DUT-8(Ni) metal-organic framework belongs to the family of flexible pillared layer materials. The desolvated framework can be obtained in the open pore form (op) or in the closed pore form (cp), depending on the crystal size regime. In the present work, we report on the behaviour of desolvated DUT-8(Ni) at elevated temperatures. For both, op and cp variants, heating causes a structural transition, leading to an new, crystalline compound, containing two interpenetrated networks. The state of the framework before transition (op vs. cp) influences the transition temperature: the small particles of the op phase transform at significantly lower temperature in comparison to the macroparticles of the cp phase, transforming close to the decomposition temperature. The new compound, confined closed pore phase (ccp), was characterized by powder X-ray diffraction and spectroscopic techniques, such as IR, EXAFS, and positron annihilation lifetime spectroscopy (PALS). Thermal effects of structural cp to ccp transitions were studied using differential scanning calorimetry (DSC), showing an overall exothermic effect of the process, involving bond breaking and reformation. Theoretical calculations reveal the energetics, driving the observed temperature induced phase transition.}, language = {en} } @misc{MedinaMendezFistlerOevermannetal., author = {Medina M{\´e}ndez, Juan Ali and Fistler, Marco and Oevermann, Michael and Schmidt, Heiko and Riebel, Ulrich}, title = {Economical map-based turbulence models: Developments and perspectives for the numerical analysis of electrostatic precipitation}, series = {Book of Abstracts PARTEC International Congress on Particle Technology, September 26-28, 2023, N{\"u}rnberg}, journal = {Book of Abstracts PARTEC International Congress on Particle Technology, September 26-28, 2023, N{\"u}rnberg}, publisher = {VDI Verlag GmbH}, address = {D{\"u}sseldorf}, pages = {634 -- 638}, language = {en} } @misc{MatthiesBeerBoecheretal., author = {Matthies, Ellen and Beer, Katrin and B{\"o}cher, Michael and Sundmacher, Kai and K{\"o}nig-Mattern, Laura and Arlinghaus, Julia and Bl{\"o}baum, Anke and Jaeger-Erben, Melanie and Schmidt, Karolin}, title = {Framework conditions for the transformation toward a sustainable carbon-based chemical industry - A critical review of existing and potential contributions from the social sciences}, series = {Journal of Cleaner Production}, volume = {470 (2024)}, journal = {Journal of Cleaner Production}, publisher = {Elsevier BV}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2024.143279}, pages = {1 -- 13}, language = {en} } @misc{TschammerBussPożarowskaetal., author = {Tschammer, Rudi and Buß, Lars and Pożarowska, Emilia and Morales, Carlos and Senanayake, Sanjaya D. and Prieto, Mauricio J. and Tănase, Liviu C. and de Souza Caldas, Lucas and Tiwari, Aarti and Schmidt, Thomas and Ni{\~n}o, Miguel A. and Foerster, Michael and Falta, Jens and Flege, Jan Ingo}, title = {High-temperature growth of CeOx on Au(111) and behavior under reducing and oxidizing conditions}, series = {The journal of physical chemistry C}, volume = {129}, journal = {The journal of physical chemistry C}, number = {7}, publisher = {American Chemical Society (ACS)}, address = {Washington, DC}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c08072}, pages = {3583 -- 3594}, abstract = {Inverse oxide-metal model catalysts can show superior activity and selectivity compared with the traditional supported metal-oxide architecture, commonly attributed to the synergistic overlayer-support interaction. We have investigated the growth and redox properties of ceria nanoislands grown on Au(111) between 700 and 890 °C, which yields the CeO2-Au(111) model catalyst system. We have observed a distinct correlation between deposition temperature, structural order, and oxide composition through low-energy electron microscopy, low-energy electron diffraction, intensity-voltage curves, and X-ray absorption spectroscopy. Improved structural order and thermal stability of the oxide have been achieved by increasing the oxygen chemical potential at the substrate surface using reactive oxygen (O/O2) instead of molecular O2 during growth. In situ characterization under reducing (H2) and oxidizing atmospheres (O2, CO2) indicates an irreversible loss of structural order and redox activity at high reduction temperatures, while moderate temperatures result in partial decomposition of the ceria nanoislands (Ce3+/Ce4+) to metallic cerium (Ce0). The weak interaction between Au(111) and CeOx would facilitate its reduction to the Ce0 metallic state, especially considering the comparatively strong interaction between Ce0 and Au0. Besides, the higher reactivity of atomic oxygen promotes a stronger interaction between the gold and oxide islands during the nucleation process, explaining the improved stability. Thus, we propose that by driving the nucleation and growth of the ceria/Au system in a highly oxidizing regime, novel chemical properties can be obtained.}, language = {en} } @misc{VeldkampSchmidtMarkwitzetal., author = {Veldkamp, Edzo and Schmidt, Marcus and Markwitz, Christian and Beule, Lukas and Beuschel, Ren{\´e} and Biert{\"u}mpfel, Andrea and Bischel, Xenia and Duan, Xiaohong and Gerjets, Rowena and G{\"o}bel, Leonie and Graß, R{\"u}diger and Guerra, Victor and Heinlein, Florian and Komainda, Martin and Langhof, Maren and Luo, Jie and Potthoff, Martin and Ramshorst, Justus G. V. van and Rudolf, Carolin and Seserman, Diana-Maria and Shao, Guodong and Siebicke, Lukas and Svoboda, Nikolai and Swieter, Anita and Carminati, Andrea and Freese, Dirk and Graf, Torsten and Greef, J{\"o}rg M. and Isselstein, Johannes and Jansen, Martin and Karlovsky, Petr and Knohl, Alexander and Lamersdorf, Norbert and Priesack, Eckart and Wachendorf, Christine and Wachendorf, Michael and Corre, Marife D.}, title = {Multifunctionality of temperate alley-cropping agroforestry outperforms open cropland and grassland}, series = {Communications Earth \& Environment}, volume = {4}, journal = {Communications Earth \& Environment}, number = {1}, publisher = {Springer Science and Business Media LLC}, issn = {2662-4435}, doi = {10.1038/s43247-023-00680-1}, pages = {10}, abstract = {AbstractIntensively managed open croplands are highly productive but often have deleterious environmental impacts. Temperate agroforestry potentially improves ecosystem functions, although comprehensive analysis is lacking. Here, we measured primary data on 47 indicators of seven ecosystem functions in croplands and 16 indicators of four ecosystem functions in grasslands to assess how alley-cropping agroforestry performs compared to open cropland and grassland. Carbon sequestration, habitat for soil biological activity, and wind erosion resistance improved for cropland agroforestry (P ≤ 0.03) whereas only carbon sequestration improved for grassland agroforestry (P \< 0.01). In cropland agroforestry, soil nutrient cycling, soil greenhouse gas abatement, and water regulation did not improve, due to customary high fertilization rates. Alley-cropping agroforestry increased multifunctionality, compared to open croplands. To ameliorate the environmental benefits of agroforestry, more efficient use of nutrients is required. Financial incentives should focus on conversion of open croplands to alley-cropping agroforestry and incorporate fertilizer management.}, language = {en} } @misc{LuckeSchmidtAlSaadetal., author = {Lucke, Bernhard and Schmidt, Michael and Al-Saad, Ziad and H{\"u}ttl, Reinhard F. and Bens, Oliver}, title = {The abandonment of the Decapolis region in Northern Jordan - forced by environmental change?}, series = {Quaternary International}, volume = {135}, journal = {Quaternary International}, number = {1}, issn = {1040-6182}, pages = {65 -- 81}, language = {en} } @misc{BalasUrbankKadenetal., author = {Balas, Johannes and Urbank, Christian and Kaden, Peter and Patzschke, Michael and M{\"a}rz, Juliane and Kvashnina, Kristina O. and Schmidt, Moritz and Stumpf, Thorsten and Gericke, Robert}, title = {Bonding trends in pyridine-2-thiolato complexes of tetravalent actinides}, series = {Inorganic chemistry}, volume = {64}, journal = {Inorganic chemistry}, number = {44}, publisher = {American Chemical Society}, address = {Washington, DC}, issn = {1520-510X}, doi = {10.1021/acs.inorgchem.5c03369}, pages = {21919 -- 21931}, abstract = {Complexes of tetravalent actinides (An: Th, U, Np, Pu) with the bidentate (N,S)-donor ligand pyridine-2-thiolate (2-PyS, PyS-) were synthesized in 1:4 or 1:5 ratios. This includes the first structurally characterized Np complex with (N,S)-donor ligands, filling a notable gap in An coordination chemistry. An improved synthetic approach with PyS-SiMe3 enabled efficient formation of the 1:4 complexes in THF as coordinating solvent. The compounds were comprehensively characterized in solution and in solid phase, supported by quantum chemical calculations. Experimental and theoretical results show matching trends in the binding behavior of AnIV. The covalent bond contributions in An-N and An-S bonding increase along the series of An from Th to Pu. The bonds to the soft sulfur donors consistently have the highest covalent contributions with a remarkably high percentage for Pu-S (IQA analysis: >34\%) over the harder N donors or An-O bonds of coordinating THF. High-resolution X-ray absorption and infrared spectroscopy indicate similar electronic and structural properties across AnIV complexes, while SQUID magnetometry uncovered significant differences in magnetic behavior at low temperatures depending on the complex compositions. This work advances the understanding of An-ligand bonding, emphasizing covalency and electronic structures, and expands fundamental insights into An chemistry.}, language = {en} } @misc{BoelteUtgenanntSchmidtetal., author = {B{\"o}lte, Jens-Henning and Utgenannt, Stephan and Schmidt, Max and Klepel, Olaf and Bron, Michael and Rokicińska, Anna and Jarczewski, Sebastian and Kuśtrowski, Piotr}, title = {S-doped and N+S-co-doped carbon catalysts in redox reactions}, series = {Microporous and mesoporous materials}, volume = {407}, journal = {Microporous and mesoporous materials}, publisher = {Elsevier BV}, address = {Amsterdam}, issn = {1873-3093}, doi = {10.1016/j.micromeso.2026.114129}, pages = {1 -- 11}, abstract = {In this contribution, the effects of heteroatom doping of porous carbon materials with S and N on their ability to catalyze redox-reactions involving the activation of molecular oxygen were investigated. For this purpose, a library of in total 54 undoped, S-doped and N + S-co-doped porous carbons was obtained via a template-based synthesis procedure using mesoporous silica gel as the template. To understand the influence of S on the properties of the doped carbons three different S-containing precursors, namely dimethyl sulfoxide (DMSO), p-toluene sulfonic acid and thiophene, were used. In order to investigate possible synergistic effects of S- and N-co-doping, urea was employed as the sole N-containing precursor. The obtained carbon catalysts were characterized by selected methods such as N2-physisorption at 77 K, X-ray diffraction (XRD), Raman spectroscopy, elemental analysis and X-ray photoelectron spectroscopy (XPS). Each carbon catalyst was tested in the oxidation of sulfurous acid (OSA) to sulfuric acid, the electrochemical oxygen reduction (ORR) and the oxidative dehydrogenation (ODH) of ethylbenzene. Owing to the similar textural and structural properties achieved through template-based synthesis of the carbon catalyst library, the results of the catalytic redox-reactions could directly be related to the respective heteroatom dopant. The observed trends indicate that in these redox-reactions S-species behave somewhat similar to O-species bound on the carbon surface. Furthermore, it can be shown that N + S co-doping rather combines the positive and negative effects of the individual dopants on the activity, than creating a synergistic effect that surpasses the individual contribution.}, language = {en} }