TY - JOUR AU - Ma, Xuekai AU - Kartashov, Yaroslav V. AU - Gao, Tingge AU - Torner, Lluis AU - Schumacher, Stefan ID - 20583 IS - 4 JF - Physical Review B TI - Spiraling vortices in exciton-polariton condensates VL - 102 ER - TY - JOUR AU - Barkhausen, F AU - Schumacher, Stefan AU - Ma, Xuekai ID - 20587 IS - 5 JF - Optics Letters SN - 0146-9592 TI - Multistable circular currents of polariton condensates trapped in ring potentials. VL - 45 ER - TY - JOUR AU - Pukrop, Matthias AU - Schumacher, Stefan ID - 40443 IS - 1 JF - Physical Review E SN - 2470-0045 TI - Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid VL - 101 ER - TY - JOUR AB - Polarons in dielectric crystals play a crucial role for applications in integrated electronics and optoelectronics. In this work, we use density-functional theory and Green's function methods to explore the microscopic structure and spectroscopic signatures of electron polarons in lithium niobate (LiNbO3). Total-energy calculations and the comparison of calculated electron paramagnetic resonance data with available measurements reveal the formation of bound polarons at Nb_Li antisite defects with a quasi-Jahn-Teller distorted, tilted configuration. The defect-formation energies further indicate that (bi)polarons may form not only at Nb_Li antisites but also at structures where the antisite Nb atom moves into a neighboring empty oxygen octahedron. Based on these structure models, and on the calculated charge-transition levels and potential-energy barriers, we propose two mechanisms for the optical and thermal splitting of bipolarons, which provide a natural explanation for the reported two-path recombination of bipolarons. Optical-response calculations based on the Bethe-Salpeter equation, in combination with available experimental data and new measurements of the optical absorption spectrum, further corroborate the geometries proposed here for free and defect-bound (bi)polarons. AU - Schmidt, Falko AU - Kozub, Agnieszka L. AU - Biktagirov, Timur AU - Eigner, Christof AU - Silberhorn, Christine AU - Schindlmayr, Arno AU - Schmidt, Wolf Gero AU - Gerstmann, Uwe ID - 19190 IS - 4 JF - Physical Review Research TI - Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations VL - 2 ER - TY - JOUR AB -

A hole transfer from an excited Ru unit towards graphene oxide significantly improved the photocatalytic activity of the complexes.

AU - Rosenthal, Marta AU - Lindner, Jörg AU - Gerstmann, Uwe AU - Meier, Armin AU - Schmidt, Wolf Gero AU - Wilhelm, René ID - 29744 IS - 70 JF - RSC Advances KW - General Chemical Engineering KW - General Chemistry SN - 2046-2069 TI - A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide VL - 10 ER - TY - JOUR AU - Aldahhak, Hazem AU - Powroźnik, Paulina AU - Pander, Piotr AU - Jakubik, Wiesław AU - Dias, Fernando B. AU - Schmidt, Wolf Gero AU - Gerstmann, Uwe AU - Krzywiecki, Maciej ID - 17066 IS - 124 JF - The Journal of Physical Chemistry C SN - 1932-7447 TI - Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures ER - TY - JOUR AU - Braun, Christian AU - Neufeld, Sergej AU - Gerstmann, Uwe AU - Sanna, S. AU - Plaickner, J. AU - Speiser, E. AU - Esser, N. AU - Schmidt, Wolf Gero ID - 17068 IS - 14 JF - Physical Review Letters SN - 0031-9007 TI - Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces VL - 124 ER - TY - JOUR AU - Biktagirov, Timur AU - Schmidt, Wolf Gero AU - Gerstmann, Uwe ID - 17069 IS - 2 JF - Physical Review Research SN - 2643-1564 TI - Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits VL - 2 ER - TY - JOUR AU - Biktagirov, Timur AU - Schmidt, Wolf Gero AU - Gerstmann, Uwe ID - 19194 JF - Physical Review Research SN - 2643-1564 TI - Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits ER - TY - JOUR AU - Niederhausen, Jens AU - MacQueen, Rowan W. AU - Lips, Klaus AU - Aldahhak, Hazem AU - Schmidt, Wolf Gero AU - Gerstmann, Uwe ID - 19193 JF - Langmuir SN - 0743-7463 TI - Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon ER - TY - JOUR AU - Krenz, Marvin AU - Gerstmann, Uwe AU - Schmidt, Wolf Gero ID - 19654 JF - ACS Omega SN - 2470-1343 TI - Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory ER - TY - JOUR AU - Zuo, R AU - Song, X AU - Meier, Torsten AU - Yang, W ID - 22883 IS - 8 JF - Journal of Physics: Conference Series SN - 1742-6588 TI - Carrier-wave population transfer in semiconductors VL - 1412 ER - TY - CONF AU - Kappe, Fabian AU - Wituschek, Simon AU - Lechner, Michael AU - Bobbert, Mathias AU - Meschut, Gerson AU - Merklein, Marion ID - 20680 TI - Investigation of influencing parameters on the joint formation of the self-piercing riveting process ER - TY - JOUR AU - Fuchs, Christian ID - 41432 IS - 1 JF - tripleC: Communication, Capitalism & Critique TI - Communicative Socialism/Digital Socialism VL - 18 ER - TY - CHAP AU - Fuchs, Christian ID - 42370 T2 - 世界社会主义研究年鉴 (World Socialism Research Yearbook 2020) TI - 罗铮 译.“大数据资本主义时代的马克思(Karl Marx in the Age of Big Data Capitalism) ER - TY - JOUR AU - Fuchs, Christian ID - 42369 JF - 国外理论动态(Foreign Theoretical Trends) 2020 (4) TI - 罗铮 译.“大数据资本主义时代的马克思(Karl Marx in the Age of Big Data Capitalism ER - TY - JOUR AU - Fuchs, Christian ID - 42485 IS - 2 JF - tripleC: Communication, Capitalism & Critique TI - Preface to Manfred Knoche’s Article “Science Communication and Open Access: The Critique of the Political Economy of Capitalist Academic Publishers as Ideology Critique” VL - 18 ER - TY - JOUR AB - Porous tin dioxide is an important low-cost semiconductor applied in electronics, gas sensors, and biosensors. Here, we present a versatile template-assisted synthesis of nanostructured tin dioxide thin films using cellulose nanocrystals (CNCs). We demonstrate that the structural features of CNC-templated tin dioxide films strongly depend on the precursor composition. The precursor properties were studied by using low-temperature nuclear magnetic resonance spectroscopy of tin tetrachloride in solution. We demonstrate that it is possible to optimize the precursor conditions to obtain homogeneous precursor mixtures and therefore highly porous thin films with pore dimensions in the range of 10–20 nm (ABET = 46–64 m2 g–1, measured on powder). Finally, by exploiting the high surface area of the material, we developed a resistive gas sensor based on CNC-templated tin dioxide. The sensor shows high sensitivity to carbon monoxide (CO) in ppm concentrations and low cross-sensitivity to humidity. Most importantly, the sensing kinetics are remarkably fast; both the response to the analyte gas and the signal decay after gas exposure occur within a few seconds, faster than in standard SnO2-based CO sensors. This is attributed to the high gas accessibility of the very thin porous film. AU - Ivanova, Alesja AU - Frka-Petesic, Bruno AU - Paul, Andrej AU - Wagner, Thorsten AU - Jumabekov, Askhat N. AU - Vilk, Yury AU - Weber, Johannes AU - Schmedt auf der Günne, Jörn AU - Vignolini, Silvia AU - Tiemann, Michael AU - Fattakhova-Rohlfing, Dina AU - Bein, Thomas ID - 25903 JF - ACS Applied Materials & Interfaces SN - 1944-8244 TI - Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing ER - TY - JOUR AB - Micropatterned nanoporous aluminum oxide arrays are prepared on silicon wafer substrates by using photopolymerized poly(dimethylacrylamide) hydrogels as porogenic matrices. Hydrogel micropatterns are fabricated by spreading the prepolymer mixture on the substrate, followed by UV photopolymerization through a micropatterned mask. The hydrogel is covalently bonded to the substrate surface. Al2O3 is produced by swelling the hydrogel in a saturated aluminum nitrate solution and subsequent thermal conversion/calcination. As a result, micropatterned porous Al2O3 microdots with heights in µm range and large specific surface areas up to 274 m2 g−1 are obtained. Hence, the hydrogel fulfills a dual templating function, namely micropatterning and nanoporosity generation. The impact of varying the photopolymerization time on the properties of the products is studied. Samples are characterized by light and confocal laser scanning microscopy, scanning electron microscopy, energy-dispersive x-ray spectrometry, and Kr physisorption analysis. AU - Chen, Zimei AU - Kuckling, Dirk AU - Tiemann, Michael ID - 23854 JF - Nanotechnology SN - 0957-4484 TI - Nanoporous aluminum oxide micropatterns prepared by hydrogel templating VL - 31 ER - TY - JOUR AB - Metal oxide inverse opals are interesting for various applications. To achieve highly ordered inverse opal structures, one important issue during the colloidal crystal templating procedure is to form a stable precursor network before the template loses its structural integrity at high temperature. Using poly(methyl methacrylate), PMMA, colloidal crystal templates, it is essential to consider the physical and chemical changes of the precursors induced by the changes of PMMA during the thermal conversion. For a systematic investigation of this matter, we synthesized a variety of metal oxide inverse opals from the respective metal nitrates, including Cr2O3, Ga2O3, Fe2O3, In2O3, CuO, CeO2, and ZnO, to compare the effect of various modifications of precursors on the structural and optical properties. When the nitrate precursors have a lower thermal stability than the PMMA template, we have modified the metal nitrates by chelating or by polyacrylamide gelation to form more stable precursor networks. AU - Zhang, Xuyang AU - Weinberger, Christian AU - Amrehn, Sabrina AU - Wu, Xia AU - Tiemann, Michael AU - Wagner, Thorsten ID - 25898 JF - European Journal of Inorganic Chemistry SN - 1434-1948 TI - Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating ER -