TY - GEN A1 - Rudolff, Britta A1 - Battis, Eva A1 - Schmidt, Michael ED - Machat, Christoph T1 - Circular Villages: Reflections based on a global comparative analysis T2 - The Cultural Landscape of the Wendland Circular Villages KW - Wendland, circular villages, cultural landscape, village typology, world heritage Y1 - 2018 SN - 978-3-943164-46-6 SP - 94 EP - 102 PB - Geymüller CY - Aachen, Berlin ET - 1 ER - TY - GEN A1 - Schmidt, Michael A1 - Duncker, Kerstin A1 - Rudolff, Britta A1 - Heese, Michelle ED - Machat, Christoph T1 - In search of OUV: A methodology for attribute mapping in the circular villages of Wendland T2 - The Cultural Landscape of the Wendland Circular Villages KW - Wendland, circular villages, cultural landscape, village typology, world heritage Y1 - 2018 SN - 978-3-943164-46-6 SP - 83 EP - 93 PB - Geymüller CY - Aachen, Berlin ET - 1 ER - TY - GEN A1 - Scholz, Tanja A1 - Schöneich, Michael A1 - Schmidt, Peer T1 - Understanding Solid-State Phase-Formation Processes by Usingthe High-Temperature Gas Balance: The Example of Zr₂PTe₂ T2 - European Journal of Inorganic Chemistry N2 - 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. KW - Thermal analysis KW - High-temperature Gas-balance KW - Chalcogenides KW - Phosphide telluride Y1 - 2019 UR - https://onlinelibrary.wiley.com/doi/full/10.1002/ejic.201900281 U6 - https://doi.org/10.1002/ejic.201900281 IS - 21 SP - 2577 EP - 2582 ER - TY - GEN A1 - Pabst, Falk A1 - Chang, Jen‐Hui A1 - Finzel, Kati A1 - Kohout, Miroslav A1 - Schmidt, Peer A1 - Ruck, Michael T1 - The Subbromide Bi5Br4 – On the Existence of a Hidden Phase T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - 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. KW - Bromine KW - Bismuth KW - Cluster KW - Phase Diagrams KW - Polycations KW - Crystal structure Y1 - 2020 UR - https://onlinelibrary.wiley.com/doi/10.1002/zaac.201800149 U6 - https://doi.org/10.1002/zaac.201800149 VL - 646 IS - 3 SP - 149 EP - 155 ER - TY - GEN A1 - Bähr, Martin A1 - Buhl, Johannes A1 - Radow, Georg A1 - Schmidt, Johannes A1 - Bambach, Markus A1 - Breuß, Michael A1 - Fügenschuh, Armin T1 - Stable honeycomb structures and temperature based trajectory optimization for wire-arc additive manufacturing T2 - Optimization and Engineering N2 - 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. KW - Mixed-integer linear programming KW - Geometric optimization KW - Eikonal equation KW - Heat transmission KW - Additive manufacturing KW - Centroidal Voronoi tesselation Y1 - 2021 U6 - https://doi.org/10.1007/s11081-020-09552-5 SN - 1573-2924 VL - 22 IS - 2 SP - 913 EP - 974 ER - TY - GEN A1 - Fahrion, Marc-Steffen A1 - Draeger, Susan A1 - Lakatos, Michael A1 - Schmidt, Timo A1 - Nickl, Christoph A1 - Brombacher, Moritz A1 - Bangalore, Deekshitha A1 - Sundermann, Wolfgang T1 - KLIBAU – Weiterentwicklung und Konkretisierung des Klimaangepassten Bauens : Handlungsempfehlungen für Planer und Architekten Y1 - 2019 UR - https://www.bbsr.bund.de/BBSR/DE/forschung/programme/zb/Auftragsforschung/5EnergieKlimaBauen/2018/klibau/handlungsempfehlungen.pdf?__blob=publicationFile&v=4 ER - TY - GEN A1 - Hanschmann, Henning A1 - Rödiger, Stefan A1 - Kramer, Toni A1 - Hanschmann, Katrin A1 - Steidle, Michael A1 - Fingerle, Volker A1 - Schmidt, Carsten A1 - Lehmann, Werner A1 - Schierack, Peter T1 - LoopTag FRET Probe System for Multiplex qPCR Detection of Borrelia Species T2 - Life Y1 - 2021 U6 - https://doi.org/10.3390/life11111163 SN - 2075-1729 VL - 11 IS - 11 ER - TY - BOOK A1 - Bähr, Martin A1 - Buhl, Johannes A1 - Radow, Georg A1 - Schmidt, Johannes A1 - Bambach, Markus A1 - Breuß, Michael A1 - Fügenschuh, Armin T1 - Stable honeycomb structures and temperature based trajectory optimization for wire-arc additive manufacturing Y1 - 2019 U6 - https://doi.org/10.26127/btuopen-5079 CY - Cottbus ER - TY - RPRT A1 - Schmidt, Peer A1 - Donath, Ines A1 - Wels, Martin A1 - Pinnau, Sebastian A1 - Grau Turuelo, Constantino A1 - Breitkopf, Cornelia A1 - Hack, Klaus A1 - Baben, Moritz to A1 - Reis, Bruno A1 - Müller, Michael A1 - Sergeev, Dmitry A1 - Qi, Jia T1 - PCM Screening - Evaluierung eutektischer Gemische für den Einsatz als PCM: thermodynamische Modellierung und experimentelle Methoden : Energie Speicher: PCM-Screening : Schlussbericht N2 - Ein wichtiges Ziel der Bundesregierung ist der Ausbau des Anteils erneuerbarer Energien an der gesamten Stromerzeugung. Die Entwicklung optimierter Wärme- und Kältespeicher stellt einen wichtigen Baustein bei der Erreichung dieser Zielstellung dar. Elektrisch betriebene Wärmepumpen und Kompressionskältemaschinen sowie dezentrale Klein-BHKW bieten in Verbindung mit entsprechend dimensionierten, thermischen Speichern ein großes Potential zum Lastmanagement in Smart Grids und somit zur Netzintegration von Strom aus erneuerbaren Energien. Die im Projekt entwickelte Methodik zur Suche nach neuen Latentspeichermedien kann für ein breites Anwendungsfeld von Heiz- und Kühlanwendungen in Gebäuden bis hin zur Kraftwerkstechnik eingesetzt werden. Innerhalb der Fördermaßnahme „Anwendungsorientierte Forschung und Entwicklung zur nichtnuklearen Energieforschung“ im 6. Energieforschungsprogramm der Bundesregierung wurde durch die Projektarbeiten das Schwerpunktthema Energiespeicher (3.8) adressiert, wobei der Aspekt der Entwicklung neuer Materialien mit reduzierten Kosten für einen wirtschaftlichen Betrieb im Vordergrund stand. Speziell wurden dabei die Unterpunkte 3.8.4 Thermische Speicher zur Weiterentwicklung, Optimierung und Erprobung von PCM sowie 3.8.5 Übergeordnete Themen mit Modellen und Simulationswerkzeugen für die Auswahl und Bewertung neuer Speichermaterialien adressiert. Die Projektergebnisse besitzen aber auch Berührungspunkte mit den Schwerpunkten 3.12 Energieeffizienz in Industrie, Gewerbe, Handel und Dienstleistungen sowie 3.4 Solarthermische Kraftwerke, da mit der entwickelten Screening-Methode für diese Anwendungsfälle neue Wärmespeichermaterialien auf der Basis wasserfreier Salze mit höheren Prozesstemperaturen gefunden werden können. Durch den Einsatz von Methoden zur Modellierung und Simulation von Prozessen erfolgt gleichermaßen die Umsetzung einer energie- und ressourcenschonenden Forschungstätigkeit. Das im Projekt entwickelte Vorgehen hilft dabei, einen äußerst sparsamen Einsatz von Chemikalien, eine niedrige Belastung der Umwelt durch verringerten Entsorgungsaufwand der verbrauchten Stoffe sowie einen deutlich geringeren Aufwand und Energieeinsatz für die Messtechnik zu ermöglichen. Damit wurde zugleich das Schwerpunktthema 3.8.5 Modelle und Simulationswerkzeuge für die Auswahl und Bewertung neuer Speichermaterialien angesprochen. KW - Latentwärmespeicher KW - Phase diagram KW - Thermodynamic modeling KW - Thermal analysis Y1 - 2021 UR - https://www.tib.eu/de/suchen/id/TIBKAT:177643451X/ U6 - https://doi.org/10.2314/KXP:177643451X PB - TIB – Leibniz-Informationszentrum Technik und Naturwissenschaften CY - Hannover ER - TY - GEN A1 - Ehrling, Sebastian A1 - Senkovska, Irena A1 - Efimova, Anastasia A1 - Bon, Volodymyr A1 - Abylgazina, Leila A1 - Petkov, Petko A1 - Evans, Jack D. A1 - Attallah, Ahmed Gamal A1 - Wharmby, Michael Thomas A1 - Roslova, Maria A1 - Huang, Zhehao A1 - Tanaka, Hideki A1 - Wagner, Andreas A1 - Schmidt, Peer A1 - Kaskel, Stefan T1 - Temperature Driven Transformation of the Flexible Metal-Organic Framework DUT-8(Ni) T2 - Chemistry - a European journal N2 - 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. KW - Metal organic framework (MOF) KW - Thermal analysis KW - Crystal structure KW - Phase transition Y1 - 2022 UR - https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.202201281 U6 - https://doi.org/10.1002/chem.202201281 SN - 1521-3765 VL - 28 IS - 55 SP - 1 EP - 10 ER - TY - GEN A1 - Medina Méndez, Juan Ali A1 - Fistler, Marco A1 - Oevermann, Michael A1 - Schmidt, Heiko A1 - Riebel, Ulrich T1 - Economical map-based turbulence models: Developments and perspectives for the numerical analysis of electrostatic precipitation T2 - Book of Abstracts PARTEC International Congress on Particle Technology, September 26-28, 2023, Nürnberg Y1 - 2023 UR - https://www-docs.b-tu.de/fg-stroemungsmodellierung/public/Medina_2023_Extended Abstract_Template_PARTEC_ODT.pdf SP - 634 EP - 638 PB - VDI Verlag GmbH CY - Düsseldorf ER - TY - GEN A1 - Matthies, Ellen A1 - Beer, Katrin A1 - Böcher, Michael A1 - Sundmacher, Kai A1 - König-Mattern, Laura A1 - Arlinghaus, Julia A1 - Blöbaum, Anke A1 - Jaeger-Erben, Melanie A1 - Schmidt, Karolin T1 - Framework conditions for the transformation toward a sustainable carbon-based chemical industry – A critical review of existing and potential contributions from the social sciences T2 - Journal of Cleaner Production Y1 - 2024 U6 - https://doi.org/10.1016/j.jclepro.2024.143279 SN - 0959-6526 VL - 470 (2024) SP - 1 EP - 13 PB - Elsevier BV ER - TY - GEN A1 - Tschammer, Rudi A1 - Buß, Lars A1 - Pożarowska, Emilia A1 - Morales, Carlos A1 - Senanayake, Sanjaya D. A1 - Prieto, Mauricio J. A1 - Tănase, Liviu C. A1 - de Souza Caldas, Lucas A1 - Tiwari, Aarti A1 - Schmidt, Thomas A1 - Niño, Miguel A. A1 - Foerster, Michael A1 - Falta, Jens A1 - Flege, Jan Ingo T1 - High-temperature growth of CeOx on Au(111) and behavior under reducing and oxidizing conditions T2 - The journal of physical chemistry C N2 - 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. KW - Inverse oxide-metal model catalysts KW - Ceria nanoislands KW - Growth KW - Redox properties KW - Low-energy electron microscopy (LEEM) KW - Low-energy electron diffraction (LEED) KW - Intensity–voltage curves KW - X-ray absorption spectroscopy (XAS) Y1 - 2025 U6 - https://doi.org/10.1021/acs.jpcc.4c08072 SN - 1932-7447 VL - 129 IS - 7 SP - 3583 EP - 3594 PB - American Chemical Society (ACS) CY - Washington, DC ER - TY - GEN A1 - Veldkamp, Edzo A1 - Schmidt, Marcus A1 - Markwitz, Christian A1 - Beule, Lukas A1 - Beuschel, René A1 - Biertümpfel, Andrea A1 - Bischel, Xenia A1 - Duan, Xiaohong A1 - Gerjets, Rowena A1 - Göbel, Leonie A1 - Graß, Rüdiger A1 - Guerra, Victor A1 - Heinlein, Florian A1 - Komainda, Martin A1 - Langhof, Maren A1 - Luo, Jie A1 - Potthoff, Martin A1 - Ramshorst, Justus G. V. van A1 - Rudolf, Carolin A1 - Seserman, Diana-Maria A1 - Shao, Guodong A1 - Siebicke, Lukas A1 - Svoboda, Nikolai A1 - Swieter, Anita A1 - Carminati, Andrea A1 - Freese, Dirk A1 - Graf, Torsten A1 - Greef, Jörg M. A1 - Isselstein, Johannes A1 - Jansen, Martin A1 - Karlovsky, Petr A1 - Knohl, Alexander A1 - Lamersdorf, Norbert A1 - Priesack, Eckart A1 - Wachendorf, Christine A1 - Wachendorf, Michael A1 - Corre, Marife D. T1 - Multifunctionality of temperate alley-cropping agroforestry outperforms open cropland and grassland T2 - Communications Earth & Environment N2 - 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. Y1 - 2023 U6 - https://doi.org/10.1038/s43247-023-00680-1 SN - 2662-4435 VL - 4 IS - 1 PB - Springer Science and Business Media LLC ER - TY - GEN A1 - Lucke, Bernhard A1 - Schmidt, Michael A1 - Al-Saad, Ziad A1 - Hüttl, Reinhard F. A1 - Bens, Oliver T1 - The abandonment of the Decapolis region in Northern Jordan - forced by environmental change? T2 - Quaternary International Y1 - 2005 SN - 1040-6182 VL - 135 IS - 1 SP - 65 EP - 81 ER - TY - GEN A1 - Balas, Johannes A1 - Urbank, Christian A1 - Kaden, Peter A1 - Patzschke, Michael A1 - März, Juliane A1 - Kvashnina, Kristina O. A1 - Schmidt, Moritz A1 - Stumpf, Thorsten A1 - Gericke, Robert T1 - Bonding trends in pyridine-2-thiolato complexes of tetravalent actinides T2 - Inorganic chemistry N2 - 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. KW - Actinides KW - Single-crystal X-ray diffraction KW - Bonding trends KW - HERFD-XANES KW - SQUID Y1 - 2025 U6 - https://doi.org/10.1021/acs.inorgchem.5c03369 SN - 1520-510X VL - 64 IS - 44 SP - 21919 EP - 21931 PB - American Chemical Society CY - Washington, DC ER -