TY - CHAP A1 - Ulrich, Rainer G. A1 - Schlegel, Matthias A1 - Mertens, Marc A1 - Groschup, Martin H. A1 - Schmidt-Chanasit, Jonas A1 - Plenge-Bönig, Anita A1 - Jacob, Jens A1 - Pelz, Hans-Joachim A1 - Freise, Jona A1 - Wenk, Matthias A1 - Thiel, Jörg A1 - Triebenbacher, Cornelia A1 - Schmolz, Eric A1 - Kurth, Andreas A1 - Krüger, Frank A1 - Rühe, Ferdinand A1 - Kiffner, Christian A1 - Ansorge, Hermann A1 - Gerwin, Werner A1 - Wegener, Wolfgang A1 - Müller, Jörg A1 - Bemmann, Margit A1 - Wolf, Ronny A1 - Otto, Lutz-Florian A1 - Oehme, Rainer A1 - Pfeffer, Martin A1 - Heckel, Gerald A1 - Schex, Susanne A1 - Essbauer, Sandra S. T1 - Netzwerk Nagetier-übertragene Pathogene: Monitoring von Hantavirus-Infektionen in Deutschland T2 - Wildhygiene, Wildtierkrankheiten, Parasiten, Epidemiologie Y1 - 2009 SN - 978-378-88131-2-3 SN - 1436-3895 SP - 229 EP - 250 PB - Ges. für Wildtier- und Jagdforschung CY - Halle/Saale ER - TY - GEN A1 - Pfetsch, Marc E. A1 - Fügenschuh, Armin A1 - Geißler, Björn A1 - Geißler, Nina A1 - Gollmer, Ralf A1 - Hiller, Benjamin A1 - Humpola, Jesco A1 - Koch, Thorsten A1 - Lehmann, Thomas A1 - Martin, Alexander A1 - Morsi, Antonio A1 - Rövekamp, Jessica A1 - Schewe, Lars A1 - Schmidt, Martin A1 - Schultz, Rüdiger A1 - Schwarz, Robert A1 - Schweiger, Jonas A1 - Stangl, Claudia A1 - Steinbach, Marc C. A1 - Vigerske, Stefan A1 - Willert, Bernhard M. T1 - Validation of Nominations in Gas Network Optimization: Models, Methods, and Solutions T2 - Optimization Methods and Software Y1 - 2015 U6 - https://doi.org/10.1080/10556788.2014.888426 SN - 1055-6788 SN - 1029-4937 VL - 30 IS - 1 SP - 15 EP - 53 ER - TY - GEN A1 - Grönke, Martin A1 - Arrozi, Ubed S. F. A1 - Bronkalla, Nadine A1 - Schmidt, Peer A1 - Valldor, Martin A1 - Oswald, Steffen A1 - Woodcock, Thomas G. A1 - Eckert, Victoria A1 - Hao, Qi A1 - Plüschke, Laura A1 - Lederer, Albena A1 - Nielsch, Kornelius A1 - Büchner, Bernd A1 - Kaskel, Stefan A1 - Hampel, Silke T1 - Layered α-TiCl₃: Microsheets on YSZ Substrates for Ethylene Polymerization with Enhanced Activity T2 - Chemistry of Materials N2 - The transition metal halide α-titanium(III) chloride (α-TiCl₃) is a layered two-dimensional compound and a well-established Ziegler–Natta catalyst for the polymerization of ethylene. A new synthesis technique is used to obtain thin sheets of α-TiCl₃ that show exceptional physical properties in contrast to their bulk counterparts, due to an enlarged surface-to-volume ratio. Chemical vapor transport (CVT) of α-titanium(III) chloride directly on substrates results in microsheets that exhibit an improved catalytic effect. For rational planning of synthesis conditions, thermodynamic simulations of occurring gas-phase equilibria were performed. Based on these calculation results, crystal growth was achieved by adding GaCl₃via pure short term CVT in a temperature gradient of 700–600 K on yttrium-stabilized zirconia (YSZ) substrates. Phase pure, as-grown, single crystal sheets with high crystallinity and a thickness of around 4 μm were obtained. These thin sheets of α-TiCl₃ on YSZ substrates were implemented as catalysts for the ethylene polymerization reaction. A significant improvement of catalytic activity of 16% was achieved, probably due to an increased surface-to-volume ratio. As a highlight, the as-grown microsheets were exfoliated subsequently to a thickness lower than 200 nm and an even higher catalytic activity of up to 24% was confirmed experimentally due to delamination effects. This is the first time that an improved catalytic effect of α-TiCl₃ is observed as a result of downscaling from bulk to microsheets by CVT. KW - Crystal growth KW - Chemical vapor transport KW - Thermodynamic modeling KW - 2D layered compounds KW - Halides KW - Nanocrystals (1) Y1 - 2019 UR - https://pubs.acs.org/doi/10.1021/acs.chemmater.9b01818 U6 - https://doi.org/10.1021/acs.chemmater.9b01818 VL - 31 IS - 14 SP - 5305 EP - 5313 ER - TY - GEN A1 - Fügenschuh, Armin A1 - Geißler, Björn A1 - Gollmer, Ralf A1 - Hayn, Christine A1 - Henrion, René A1 - Hiller, Benjamin A1 - Humpola, Jesco A1 - Koch, Thorsten A1 - Lehmann, Thomas A1 - Martin, Alexander A1 - Mirkov, Radoslava A1 - Morsi, Antonio A1 - Rövekamp, Jessica A1 - Schewe, Lars A1 - Schmidt, Martin A1 - Schultz, Rüdiger A1 - Schwarz, Robert A1 - Schweiger, Jonas A1 - Stangl, Claudia A1 - Steinbach, Marc C. A1 - Willert, Bernhard M. T1 - Mathematical Optimization for Challenging Network Planning Problems in Un- bundled Liberalized Gas Markets T2 - Energy Systems Y1 - 2014 U6 - https://doi.org/10.1007/s12667-013-0099-8 SN - 1868-3975 SN - 1868-3967 VL - 5 IS - 3 SP - 449 EP - 473 ER - TY - GEN A1 - Grönke, Martin A1 - Schmidt, Peer A1 - Valldor, Martin A1 - Oswald, Steffen A1 - Wolf, Daniel A1 - Lubk, Axel A1 - Büchner, Bernd A1 - Hampel, Silke T1 - Chemical vapor growth and delamination of α-RuCl3 nanosheets down to the monolayer limit T2 - Nanoscale N2 - 2D layered honeycomb magnet α-ruthenium(III) chloride (α-RuCl3) is a promising candidate to realize a Kitaev spin model. As alteration of physical properties on the nanoscale is additionally intended, new synthesis approaches to obtain phase pure α-RuCl3 nanocrystals have been audited. Thermodynamic simulations of occurring gas phase equilibria were performed and optimization of synthesis conditions was achieved based on calculation results. Crystal growth succeeded via chemical vapor transport (CVT) in a temperature gradient of 973 K to 773 K on YSZ substrates. Single crystal sheets of high crystallinity with heights ≤ 30 nm were obtained via pure CVT. The crystal properties were characterized by means of optical and electron microscopy, AFM, SAED, micro-Raman and XPS proving their composition, morphology, crystallinity and phase-purity. A highlight of our study is the successful individualization of nanocrystals and the delamination of nanosheets on YSZ substrates down to the monolayer limit (≤ 1 nm) which was realized by means of substrate exfoliation and ultrasonication in a very reproducible way. KW - Crystal growth KW - Thermodynamic modeling KW - Chemical vapor transport KW - 2D layered compounds KW - Nanocrystals Y1 - 2018 UR - https://pubs.rsc.org/en/content/articlelanding/2018/nr/c8nr04667k#!divAbstract U6 - https://doi.org/10.1039/C8NR04667K SN - 2040-3372 VL - 10 IS - 40 SP - 19014 EP - 19022 ER - TY - GEN A1 - Grönke, Martin A1 - Pohflepp, Danny A1 - Schmidt, Peer A1 - Valldor, Martin A1 - Oswald, Steffen A1 - Wolf, Daniel A1 - Hao, Qi A1 - Steiner, Udo A1 - Büchner, Bernd A1 - Hampel, Silke T1 - Simulation and synthesis of alpha-MoCl₃ nanosheets on substrates by short time chemical vapor transport T2 - Nano-Structures & Nano-Objects N2 - Alpha-molybdenum(III) chloride (MoCl₃) belongs to layered van-der-Waals materials, which are in focus to exhibit interesting properties due to their weak chemical and magnetic interactions. Especially the structure of alpha-MoCl₃ has been discussed in terms of symmetry breaking dimerization of Mo atoms at room temperature, which might led to exotic ground states. By exploiting the 2D materials characteristics, an investigation of physical properties on the nanoscale is intended. We herein demonstrate the probably first approach to synthesize phase pure, as-grown alpha-MoCl₃ few-layer nanosheets by means of a pure short time chemical vapor transport (CVT) process. Vapor growth benefits from a one-step deposition of high crystalline alpha-MoCl₃ nanosheets without stacking faults on a substrate. Thus, mostly applied subsequent delamination, associated with the introduction of structural defects, becomes redundant. According to the CVT process thermodynamic simulations of gas phase equilibria have been performed and the synthesis conditions could be optimized based on the calculation results. By CVT the as-grown nanolayers are deposited on sapphire (Al₂O₃) substrates by applying a temperature gradient of 70 K from 743 K to 673 K. Single crystalline sheets with thicknesses ≤75 nm down to five layer (3 nm) could be obtained by using a pure CVT process. According to the deposited nanostructures we approve the desired composition, morphology, phase purity and high crystallinity by using several microscopy and spectroscopy techniques. Furthermore, we show micro-RAMAN measurements which hint at a slight increase in phonon energies for nanosheets in comparison to the corresponding bulk phase. KW - Crystal growth KW - Chemical vapor transport KW - 2D layered compounds KW - Halides Y1 - 2019 UR - https://www.sciencedirect.com/science/article/pii/S2352507X18304888?via%3Dihub#! U6 - https://doi.org/10.1016/j.nanoso.2019.100324 SN - 2352-507X IS - 19 SP - 1 EP - 7 ER - TY - GEN A1 - Froeschke, Samuel A1 - Wolf, Daniel A1 - Hantusch, Martin A1 - Giebeler, Lars A1 - Wels, Martin A1 - Gräßler, Nico A1 - Büchner, Bernd A1 - Schmidt, Peer A1 - Hampel, Silke T1 - Synthesis of micro- and nanosheets of CrCl3–RuCl3 solid solution by chemical vapour transport T2 - Nanoscale N2 - Solid solutions of 2D transition metal trihalides are rapidly growing in interest for the search for new 2D materials with novel properties at nanoscale dimensions. In this regard, we present a synthesis method for the Cr1−xRuxCl3 solid solution and describe the behaviour of the unit cell parameters over the whole composition range, which in general follows Vegard's law in the range of a = 5.958(6)CrCl3 … 5.9731(5)RuCl3 Å, b = 10.3328(20)CrCl3 … 10.34606(21)RuCl3 Å, c = 6.110(5)CrCl3 … 6.0385(5)RuCl3 Å and β = 108.522(15)CrCl3 … 108.8314(14)RuCl3 °. The synthesized solid solution powder was subsequently used to deposit micro- and nanosheets directly on a substrate by applying chemical vapour transport in a temperature gradient of 575 °C → 525 °C for 2 h and 650 °C → 600 °C for 0.5 h as a bottom-up approach without the need for an external transport agent. The observed chromium chloride enrichment of the deposited crystals is predicted by thermodynamic simulation. The results allow for a nanostructure synthesis of this solid solution with a predictable composition down to about 30 nm in height and lateral size of several μm. When applying a quick consecutive delamination step, it is possible to obtain few- and monolayer structures, which could be used for further studies of downscaling effects for the CrCl3–RuCl3 solid solution. X-ray photoelectron spectroscopy, transmission electron microscopy and Raman spectroscopy were used to confirm the purity and quality of the synthesized crystals. KW - Crystal growth KW - Chemical vapor transport KW - Thermal analysis KW - Thermodynamic modeling KW - 2D layered compounds Y1 - 2022 UR - https://pubs.rsc.org/en/content/articlelanding/2022/NR/D2NR01366E U6 - https://doi.org/10.1039/D2NR01366E SN - 2040-3372 VL - 29 IS - 14 SP - 10483 EP - 10492 ER - TY - GEN A1 - Grönke, Martin A1 - Buschbeck, Benjamin A1 - Schmidt, Peer A1 - Valldor, Martin A1 - Oswald, Steffen A1 - Hao, Qi A1 - Lubk, Axel A1 - Wolf, Daniel A1 - Steiner, Udo A1 - Büchner, Bernd A1 - Hampel, Silke T1 - Chromium Trihalides CrX₃(X = Cl, Br, I): Direct Deposition of Micro‐ and Nanosheets on Substrates by Chemical Vapor Transport T2 - Advanced Materials Interfaces N2 - The experimental observation of intrinsic ferromagnetism in single layered chromium trihalides CrX₃ (X = Cl, Br, I) has gained outstanding attention recently due to their possible implementation in spintronic devices. However, the reproducible preparation of highly crystalline chromium(III) halide nanolayers without stacking faults is still an experimental challenge. As chromium trihalides consist of adjacent layers with weak interlayer coupling, the preparation of ultrathin CrX₃ nanosheets directly on substrates via vapor transport proves as an advantageous synthesis technique. It is demonstrated that vapor growth of ultrathin highly crystalline CrX₃ micro‐ and nanosheets succeeds directly on yttrium stabilized zirconia substrates in a one‐step process via chemical vapor transport (CVT) in temperature gradients of 100 K (600°C → 500°C for CrCl₃ and 650°C → 550°C for CrBr₃ or CrI₃) without a need for subsequent delamination. Due to simulation results, optimization of synthesis conditions is realized and phase pure CrX₃ nanosheets with thicknesses ≤25 nm are obtained via short term CVT. The nanosheets morphology, crystallinity, and phase purity are analyzed by several techniques, including microscopy, diffraction, and spectroscopy. Furthermore, a potential subsequent delamination technique is demonstrated to give fast access to CrX₃ monolayers using the example of CrCl₃ . KW - 2D layered compounds KW - Crystal growth KW - Chemical vapor transport KW - Halides KW - Nanocrystals KW - Thermodynamic modeling Y1 - 2019 UR - https://onlinelibrary.wiley.com/doi/epdf/10.1002/admi.201901410 U6 - https://doi.org/10.1002/admi.201901410 SN - 2196-7350 VL - 6 IS - 24 ER - TY - GEN A1 - Matern, Antje A1 - Schmidt, Martin T1 - Sektorübergreifende Koordination als Herausforderung nachhaltiger Infrastrukturentwicklung in Städten T2 - Informationen zur modernen Stadtgeschichte N2 - Der Beitrag widmet sich der aktuellen Transformation städtischer Infrastrukturen im Spannungsfeld von technologischen Neuerungen und Forderungen nach einer stärkeren intersektoralen Koordination einerseits und der Fragmentierung städtischer Ver- und Entsorgung im Zuge der europäischen Liberalisierungspolitiken andererseits. Der Beitrag zielt darauf ab, den Stand und die Hürden der intersektoralen Koordination zwischen der Energie- und Wasserversorgung sowie der Abwasser- und Abfallentsorgung in deutschen Großstädten zu charakterisieren. Die empirische Grundlage bietet ein DFG-Forschungsprojekt zur intersektoralen Koordination städtischer Infra- strukturen im Kontext nachhaltiger Stadtentwicklung. Anhand dieser Grundlage werden die Forderungen der Debatten zu Innovationen an intersektoralen Schnittstellen und Kritischen Infrastrukturen kritisch reflektiert und der Stand der Koordination städtischer Infrastrukturen gespiegelt. Angesichts der Ausdifferenzierungstrends wird gefragt, inwiefern die in den Debatten diskutierten Koordinationserfordernisse gegenwärtig in den Städten aufgegriffen werden (können). Der Beitrag schließt mit einem Blick auf die Perspektiven nachhaltiger, sektorübergreifender Infrastrukturplanung und -politik. KW - Stadtentwicklung, Infrastrukturen Y1 - 2015 SN - 0340-1774 IS - 1 SP - 70 EP - 81 ER - TY - GEN A1 - Bimböse, Martin A1 - Nicolay, Alexander A1 - Bryk, Alexander A1 - Schmidt, Karl-Heinz A1 - Morche, David T1 - Investigations on intra- and interannual coarse sediment dynamics in a high-mountain catchment T2 - Zeitschrift für Geomorphologie : Supplementband Y1 - 2011 UR - http://www.schweizerbart.de/papers/zfg_suppl/detail/55/75985/Investigations_on_intra_and_interannual_coarse_sediment_dynamics_in_a_high_mountain_river U6 - https://doi.org/10.1127/0372-8854/2011/0055S2-0046 VL - 55 IS - 2 SP - 67 EP - 81 ER - TY - GEN A1 - Zeugner, Alexander A1 - Kaiser, Martin A1 - Schmidt, Peer A1 - Menshchikova, Tatiana V. A1 - Rusinov, Igor P. A1 - Markelov, Anton V. A1 - Van den Broek, Wouter A1 - Chulkov, Evgueni V. A1 - Doert, Thomas A1 - Ruck, Michael A1 - Isaeva, Anna T1 - Modular Design with 2D Topological-Insulator Building Blocks: Optimized Synthesis and Crystal Growth and Crystal and Electronic Structures of BiₓTeI (x = 2, 3) T2 - Chemistry of Materials N2 - Structural engineering of topological bulk materials is systematically explored with regard to the incorporation of the buckled bismuth layer [Bi₂], which is a 2D topological insulator per se, into the layered BiTeI host structure. The previously known bismuth telluride iodides, BiTeI and Bi₂TeI, offer physical properties relevant for spintronics. Herewith a new cousin, Bi₃TeI (sp.gr. R3m, a = 440.12(2) pm, c = 3223.1(2) pm), joins the ranks and expands this structural family. Bi₃TeI = [Bi₂][BiTeI] represents a stack with strictly alternating building blocks. Conditions for reproducible synthesis and crystal-growth of Bi₂TeI and Bi₃TeI are ascertained, thus yielding platelet-like crystals on the millimeter size scale and enabling direct measurements. The crystal structures of Bi₂TeI and Bi₃TeI are examined by X-ray diffraction and electron microscopy. DFT calculations predict metallic properties of Bi₃TeI and an unconventional surface state residing on various surface terminations. This state emerges as a result of complex hybridization of atomic states due to their strong intermixing. Our study does not support the existence of new stacking variants BiₓTeI with x > 3; instead, it indicates a possible homogeneity range of Bi₃TeI. The series BiTeI–Bi₂TeI–Bi₃TeI illustrates the influence of structural modifications on topological properties. KW - Crytal growth KW - Topological insulator KW - Crystal structure KW - Electronic structure KW - Bismuth layered compounds Y1 - 2017 UR - http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.6b05038 U6 - https://doi.org/10.1021/acs.chemmater.6b05038 SN - 0897-4756 SN - 1520-5002 VL - 29 IS - 3 SP - 1321 EP - 1337 ER - TY - GEN A1 - Wels, Martin A1 - Schmidt, Peer T1 - Crystal growth of ternary phases with homogeneity range: Modeling and experiments T2 - Zeitschrift für Anorganische und Allgemeine Chemie N2 - Synthesizing crystals of ternary solid solutions M2Q3 (M=Bi, Q=Se, Te) with definite composition requires advanced knowledge on the phase relations in the system. By chemical vapor transport [1] the request of homogeneous crystallization can be fulfilled. The experimental scope gets supported by modeling. A phase diagram of the pseudobinary system generated with FactSage [2] (Fig. 1) provides the thermodynamic parameters of the miscibility gap respectively the solid solution. Additionally, these parameters are used to optimize the processes while chemical vapor transport with iodine [3]. The optimum transport conditions of ϑsource = 500 °C and ϑsink = 450 °C has been applied as for the synthesis of the binary compounds [4]. Both by modeling and experiments the congruent transport can be demonstrated, Fig. 2. KW - Crystal growth KW - Chemical vapor transport KW - Chalogenides KW - Solid solution KW - Phase diagram Y1 - 2016 UR - http://onlinelibrary.wiley.com/doi/10.1002/zaac.201690018/full U6 - https://doi.org/10.1002/zaac.201690018 SN - 1521-3749 VL - 642 IS - 18 SP - 1066 ER - TY - GEN A1 - Chun, K. R. Julian A1 - Schmidt, Boris A1 - Kuck, Karl-Heinz A1 - Andresen, Dietrich A1 - Willems, Stefan A1 - Spitzer, Stefan G. A1 - Hoffmann, Ellen A1 - Schumacher, Burghard A1 - Eckardt, Lars A1 - Seidl, Karlheinz A1 - Jünger, Claus A1 - Horack, Martin A1 - Brachmann, Johannes A1 - Senges, Jochen T1 - Catheter ablation of atrial fibrillation in the young T2 - Clinical Research in Cardiology Y1 - 2013 U6 - https://doi.org/10.1007/s00392-013-0553-6 SN - 1861-0684 SN - 1861-0692 VL - 102 IS - 6 SP - 459 EP - 468 ER - TY - RPRT A1 - Goldfriedrich, Martin A1 - Hoffmann, Stephanie A1 - Müller, Yvonne A1 - Schmidt, Andrea C. A1 - Spallek, Jacob A1 - Stroß, Annette M. A1 - Tallarek, Marie ED - Goldfriedrich, Martin ED - Hurrelmann, Klaus T1 - Konzeptpapier für einen Modellstudiengang „Gesundheitspädagogik und Gesundheitsdidaktik" N2 - Angesichts der immer stärker werdenden Diskussion um die Bedeutung von Gesundheit für den schulischen und außerschulischen Bildungs- und Lernprozess und der Risiken wachsender gesundheitlicher Ungleichheit bei Kindern und Jugendlichen (Hurrelmann/Richter 2013, Lampert et al. 2019) ist die Etablierung eines Studienganges „Gesundheitspädagogik und Gesundheitsdidaktik“ längst überfällig und von besonderer Bedeutung für gesundheitliche Chancengleichheit (Goldfriedrich & Hurrelmann, 2021a; 2021b). Dieses Konzeptpapier stellt einen Modellstudiengang vor, bei dem insbesondere die Vermittlungsebenen – also die gesundheitsdidaktischen Gegenstandsbereiche – im Vordergrund stehen. Die Ausarbeitungen des Entwurfs basieren auf der Grundlage politischer Bestrebungen, der bisherigen Forschung zur Gesundheitspädagogik und Gesundheitsdidaktik, den Erkenntnissen der Erziehungs- und Gesundheitswissenschaften sowie wissenschaftlichen und interprofessionellen Beiträgen des Netzwerks Gesundheitsdidaktik (bestehend aus 33 Expert*innen aus 24 Fachbereichen). KW - Gesundheitspädagogik KW - Gesundheitsdidaktik KW - Didaktik KW - Erziehungswissenschaften KW - Gesundheitswissenschaften KW - Lehrerbildung KW - Außerschulischer Lernort KW - Curriculum KW - Curriculumforschung Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:547-202200367 UR - https://www.db-thueringen.de/receive/dbt_mods_00052342 PB - Universität CY - Erfurt ER - TY - RPRT A1 - Böttger, Stefan A1 - Felgentreff, Bernd A1 - Hesse, Gerold A1 - Hloucal, Martin-Joseph A1 - Leßmann, Dieter A1 - Mix, Sebastian A1 - Roselt, Kersten A1 - Safarik, Mathias A1 - Schmidt, Jörg A1 - Steffan, Christoph A1 - Uhlmann, Wilfried T1 - Seethermie - Innovative Wärmeversorgung aus Tagebaurestseen - Schlussbericht KW - Seethermie Y1 - 2021 UR - https://www.innovationsregion-mitteldeutschland.com/wp-content/uploads/2021/07/20210723_Schlussbericht-Seethermie_Langfassung.pdf CY - Leipzig 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 - 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 - 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 - CHAP A1 - Beisegel, Jesse A1 - Buhl, Johannes A1 - Israr, Rameez A1 - Schmidt, Johannes A1 - Bambach, Martin A1 - Fügenschuh, Armin ED - Cristiani, Emiliano ED - Falcone, Maurizio ED - Tozza, Silvia T1 - Mixed-Integer Programming Models for Two Metal Additive Manufacturing Methods T2 - Mathematical Methods for Objects Reconstruction Y1 - 2023 SN - 978-981-9907-75-5 SN - 978-981-9907-76-2 SP - 121 EP - 155 PB - Springer CY - Heidelberg ER - TY - GEN A1 - Charissé, Daniel A1 - Erus, Guray A1 - Pomponio, Raymond A1 - Gorges, Martin A1 - Schmidt, Nele A1 - Schneider, Christine A1 - Liepelt-Scarfone, Inga A1 - Riedel, Oliver A1 - Reetz, Kathrin A1 - Schulz, Jörg B. A1 - Berg, Daniela A1 - Storch, Alexander A1 - Witt, Karsten A1 - Dodel, Richard A1 - Kalbe, Elke A1 - Kassubek, Jan A1 - Hilker-Roggendorf, Rüdiger A1 - Baudrexel, Simon T1 - Brain age and Alzheimer's-like atrophy are domain-specific predictors of cognitive impairment in Parkinson's disease T2 - Neurobiology of Aging N2 - Recently, it was shown that patients with Parkinson's disease (PD) who exhibit an “Alzheimer's disease (AD)-like” pattern of brain atrophy are at greater risk for future cognitive decline. This study aimed to investigate whether this association is domain-specific and whether atrophy associated with brain aging also relates to cognitive impairment in PD. SPARE-AD, an MRI index capturing AD-like atrophy, and atrophy-based estimates of brain age were computed from longitudinal structural imaging data of 178 PD patients and 84 healthy subjects from the LANDSCAPE cohort. All patients underwent an extensive neuropsychological test battery. Patients diagnosed with mild cognitive impairment or dementia were found to have higher SPARE-AD scores as compared to patients with normal cognition and healthy controls. All patient groups showed increased brain age. SPARE-AD predicted impairment in memory, language and executive functions, whereas advanced brain age was associated with deficits in attention and working memory. Data suggest that SPARE-AD and brain age are differentially related to domain-specific cognitive decline in PD. The underlying pathomechanisms remain to be determined. KW - Alzheimer's disease KW - Brain Age KW - MRI KW - Parkinson's disease KW - Pattern classification Y1 - 2022 UR - https://www.sciencedirect.com/science/article/pii/S0197458021002748?via%3Dihub U6 - https://doi.org/10.1016/j.neurobiolaging.2021.08.020 SN - 0197-4580 VL - 109 SP - 31 EP - 42 ER - TY - GEN A1 - Froeschke, Samuel A1 - Yasmen, Nadia A1 - Popov, Alexey A1 - Schiemenz, Sandra A1 - Wolf, Daniel A1 - Giebeler, Lars A1 - Hantusch, Martin A1 - Gräßler, Nico A1 - Büchner, Bernd A1 - Schmidt, Peer A1 - Hampel, Silke T1 - Controlled Nanoplatelet Deposition of 2D Chromium Trihalide Solid Solutions T2 - Chemistry of Materials N2 - The two-dimensional (2D) chromium trihalides CrCl3, CrBr3, and CrI3 are most famous for their exotic magnetic properties when their crystals get downscaled to nanometer dimensions. One way to tune the properties of such materials and to further increase their potential utility, e.g., in spintronics, is the formation of solid solutions. Here, we present a detailed theoretical and experimental study on the synthesis and nanoplatelet growth of CrBrxCl3–x and CrBrxI3–x solid solutions. Phase pure powder was obtained by tempering the respective parent compounds at 600 and 550 °C, using additional iodine in the case of CrBrxI3–x. The dominant stacking order changes at x = 1.8 for CrBrxCl3–x while remaining similar to CrI3 for the whole CrBrxI3–x series. A consecutive chemical vapor transport from 575 → 525 °C for 2 h (CrBrxCl3–x) or 600 → 550 °C for 3 h with 0.1 mmol additional iodine (CrBrxI3–x) resulted in the deposition of high-quality nanoplatelets on a substrate with only several nanometers in height. The composition can be controlled by the choice of the starting material, since only small shifts in the anion ratio occur during the transport. The deposited CrBrxCl3–x nanoplatelets can then be easily delaminated by ultrasonication in ethanol to reduce the height even further to few-layer dimensions. These nanoplatelets could potentially be used to investigate the property changes (e.g., in terms of magnetic response) for the downscaling of these solid solutions. We further demonstrate the quality of the deposited material by transmission electron microscopy, selected area electron diffraction, and X-ray photoelectron spectroscopy. Raman spectroscopy of the solid solution series reveals a complex evolution of vibrational modes. Photoluminescence measurements on solid solution samples show emission peaks in the near-infrared energy range with the specific energy and intensity being composition and temperature dependent. KW - 2D layered compounds KW - Chemical vapor transport KW - Crystal growth KW - Crystal structure KW - Halides KW - Thermodynamic modeling Y1 - 2023 UR - https://pubs.acs.org/doi/full/10.1021/acs.chemmater.2c03785 U6 - https://doi.org/10.1021/acs.chemmater.2c03785 SN - 1520-5002 SN - 0897-4756 VL - 35 IS - 11 SP - 4136 EP - 4148 ER - TY - GEN A1 - Martin, Volker A1 - Eckert, Ronald A1 - Schmidt, Michael A1 - Storch, Harry T1 - Integrative Stadtentwicklungs- und Umweltplanung zur Anpassung an die Folgen des globalen Klimawandels in Ho Chi Minh City - Anpassungsstrategien für eine klimagerechte und energieeffiziente Stadtentwicklung und Wohnungsversorgung T2 - Forum der Forschung Y1 - 2008 SN - 0947-6989 IS - 21 SP - 111 EP - 118 ER - TY - GEN A1 - Lange, Felix A1 - Ernst, Owen A1 - Teubner, Thomas A1 - Richter, Carsten A1 - Schmidbauer, Martin A1 - Skibitzki, Oliver A1 - Schroeder, Thomas A1 - Schmidt, Peer A1 - Boeck, Torsten T1 - In-plane growth of germanium nanowires on nanostructured Si(001)/SiO2 substrates T2 - Nano Futures N2 - Germanium (Ge) nanowires (NWs) were grown in-plane on nano-structured Si(001)/SiO2 substrates by molecular beam epitaxy using gold (Au) as the solvent. The site-selective NW growth was enabled by a rectangular array of gold droplets on silicon (Si) tips with an Au nuclei density below 0.25 μm−2 on the surrounding silicon oxide (SiO2). The initial growth of Ge NWs starting from Si–Au droplets with SixGe1−x nucleation from ternary alloy is discussed from a thermodynamic point of view. The in-plane NW elongation occurred within ⟨110⟩ directions on the substrate and NWs were mainly bounded by two 55◦ inclined 111 facets and a less pronounced planar (001) top facet. Fully relaxed crystal lattices of Ge NWs were observed from two-dimensional reciprocal space maps of x-ray diffraction measurements. KW - Crystal growth KW - Silicon KW - Germanium KW - Phase diagram Y1 - 2020 UR - https://iopscience.iop.org/article/10.1088/2399-1984/ab82a0 U6 - https://doi.org/10.1088/2399-1984/ab82a0 SN - 2399-1984 VL - 4 IS - 3 SP - 1 EP - 8 ER - TY - GEN A1 - Froeschke, Samuel A1 - Bestha, Kranthi Kumar A1 - Fucke, Rico A1 - Schiemenz, Sandra A1 - Popov, Alexey A1 - Naumann, Marco A1 - Knupfer, Martin A1 - Giebeler, Lars A1 - Wolf, Daniel A1 - Kizhake Malayil, Ranjith Kumar A1 - Sivan, Saramgi Chencheriparambil A1 - Grafe, Hans-Joachim A1 - Gräßler, Nico A1 - Corredor, Laura T. A1 - Wolter, Anja U. B. A1 - Büchner, Bernd A1 - Schmidt, Peer A1 - Hampel, Silke T1 - Structural and Magnetic Transitions Caused by Dimer Formation in the CrCl3–MoCl3 Solid Solution T2 - Chemistry of Materials N2 - In this work, we apply the concept of solid solutions to the two 2D transition metal trihalides CrCl3 and MoCl3. While CrCl3 belongs to the magnetically active CrX3 family, the magnetism in MoCl3 is intrinsically suppressed by the formation of aligned Mo–Mo dimers, which also distort the regular honeycomb lattice that is typical for the 2D transition metal trihalides. We report suitable synthesis conditions for the gapless solid solution and crystal growth by chemical vapor transport. The CrCl3–MoCl3 solid solution was initially synthesized at 650 °C for 100 h under addition of MoCl5 as mineralizer, and bulk crystals were subsequently grown by vapor transport in a temperature gradient from 600 °C → 550 °C for 60 h. The obtained solid solution exhibits multiple composition-dependent phase transitions at room temperature, as confirmed by powder X-ray diffraction measurements. The possible presence of Mo–Mo dimers in the solid solution was further investigated by infrared, Raman, electron energy loss, and nuclear quadrupole resonance spectroscopies. The combined results indicate that the Mo–Mo dimers are present over a wide range of compositions. Their orientation changes from parallel alignment for compositions from 70% ≤ c(Mo3+) ≤ 100% to random orientation for samples with c(Mo3+) < 70% content, which significantly affects the course of lattice parameters. Finally, the magnetic properties of the powder samples show a correlation between the Mo3+ content and the transition temperature into the low-temperature phase. Y1 - 2024 U6 - https://doi.org/10.1021/acs.chemmater.3c03109 SN - 0897-4756 SN - 1520-5002 VL - 36 IS - 9 SP - 4240 EP - 4253 ER - TY - GEN A1 - Hansen, Felix A1 - Wels, Martin A1 - Froeschke, Samuel A1 - Popov, Alexey A1 - Wolf, Daniel A1 - Büchner, Bernd A1 - Schmidt, Peer A1 - Hampel, Silke T1 - Thermodynamic Evaluation and Chemical Vapor Transport of Few-Layer WTe2 T2 - Crystal Growth and Design N2 - Tungsten telluride WTe2 is the sole candidate of a group of two-dimensional layered transition metal dichalcogenides (TMDCs) MX2 with a thermodynamically stable 1T′-structure at room temperature. The binary system W/Te was audited with respect to a rational approach of planning and realization of a bottom-up synthesis of WTe2 nanostructures. Thus, the parameters of the synthesis via chemical vapor transports (CVT) were derived by thermodynamic simulations of the reaction pathway according to the Calphad method. Reflecting on the peritectic melting behavior at 1020 °C, the values of ΔfHm° (298 K) = −26.5 kJ·mol−1 and Sm° (298 K) = 132 J·mol−1 ·K−1 have been obtained. According to modeling, crystal growth by short time vapor transport is reasonable under the addition of bromine or TeBr4 in the temperature range between 650 and 750 °C. Experimental implementation of crystal growth of WTe2 nanosheets succeeded in a temperature gradient from 725 to 675 °C on yttria-stabilized zirconia (YSZ) (111) substrates, observing the deposition of single crystal sheets of high crystallinity with thicknesses of 15−20 nm (∼20−30 layers). The high crystallinity, pristine morphology, and overall quality of the deposited nanosheets is shown by means of atomic resolution transmission electron microscopy, selected area electron diffraction (SAED), and atomic force microscopy as well as profound double-polarized Raman spectroscopy. KW - Crystal growth KW - Chemical vapor transport KW - Thermodynamic modeling KW - 2D layered compounds KW - Chalcogenides KW - Phase diagram Y1 - 2020 UR - https://pubs.acs.org/doi/abs/10.1021/acs.cgd.0c01004 U6 - https://doi.org/10.1021/acs.cgd.0c01004 SN - 1528-7505 VL - 20 IS - 11 SP - 7341 EP - 7349 ER -