@article{40435, abstract = {{

Coulomb binding energy is reduced when a few-molecule integer charge transfer complex (ICTC) is formed.

}}, author = {{Dong, Chuan-Ding and Schumacher, Stefan}}, issn = {{2050-7526}}, journal = {{Journal of Materials Chemistry C}}, keywords = {{Materials Chemistry, General Chemistry}}, number = {{34}}, pages = {{11929--11935}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding}}}, doi = {{10.1039/d0tc02185g}}, volume = {{8}}, year = {{2020}}, } @article{20582, author = {{Berger, Bernd and Schmidt, Daniel and Ma, Xuekai and Schumacher, Stefan and Schneider, Christian and Höfling, Sven and Assmann, Marc}}, journal = {{Physical Review B}}, number = {{24}}, pages = {{245309}}, publisher = {{American Physical Society}}, title = {{{Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping}}}, doi = {{10.1103/PhysRevB.101.245309}}, volume = {{101}}, year = {{2020}}, } @article{40443, author = {{Pukrop, Matthias and Schumacher, Stefan}}, issn = {{2470-0045}}, journal = {{Physical Review E}}, number = {{1}}, publisher = {{American Physical Society (APS)}}, title = {{{Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid}}}, doi = {{10.1103/physreve.101.012207}}, volume = {{101}}, year = {{2020}}, } @article{19190, abstract = {{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.}}, author = {{Schmidt, Falko and Kozub, Agnieszka L. and Biktagirov, Timur and Eigner, Christof and Silberhorn, Christine and Schindlmayr, Arno and Schmidt, Wolf Gero and Gerstmann, Uwe}}, issn = {{2643-1564}}, journal = {{Physical Review Research}}, number = {{4}}, publisher = {{American Physical Society}}, title = {{{Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations}}}, doi = {{10.1103/PhysRevResearch.2.043002}}, volume = {{2}}, year = {{2020}}, } @article{17066, author = {{Aldahhak, Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias, Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, number = {{124}}, pages = {{6090--6102}}, title = {{{Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures}}}, doi = {{10.1021/acs.jpcc.9b11116}}, year = {{2020}}, } @article{17069, author = {{Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}}, issn = {{2643-1564}}, journal = {{Physical Review Research}}, number = {{2}}, title = {{{Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}}}, doi = {{10.1103/physrevresearch.2.022024}}, volume = {{2}}, year = {{2020}}, } @article{19194, author = {{Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}}, issn = {{2643-1564}}, journal = {{Physical Review Research}}, title = {{{Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}}}, doi = {{10.1103/physrevresearch.2.022024}}, year = {{2020}}, } @article{19193, author = {{Niederhausen, Jens and MacQueen, Rowan W. and Lips, Klaus and Aldahhak, Hazem and Schmidt, Wolf Gero and Gerstmann, Uwe}}, issn = {{0743-7463}}, journal = {{Langmuir}}, pages = {{9099--9113}}, title = {{{Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon}}}, doi = {{10.1021/acs.langmuir.0c01154}}, year = {{2020}}, } @article{19654, author = {{Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}}, issn = {{2470-1343}}, journal = {{ACS Omega}}, pages = {{24057--24063}}, title = {{{Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}}}, doi = {{10.1021/acsomega.0c03483}}, year = {{2020}}, } @article{22883, author = {{Zuo, R and Song, X and Meier, Torsten and Yang, W}}, issn = {{1742-6588}}, journal = {{Journal of Physics: Conference Series}}, number = {{8}}, title = {{{Carrier-wave population transfer in semiconductors}}}, doi = {{10.1088/1742-6596/1412/8/082005}}, volume = {{1412}}, year = {{2020}}, } @inproceedings{20680, author = {{Kappe, Fabian and Wituschek, Simon and Lechner, Michael and Bobbert, Mathias and Meschut, Gerson and Merklein, Marion}}, location = {{Darmstadt }}, title = {{{Investigation of influencing parameters on the joint formation of the self-piercing riveting process}}}, year = {{2020}}, } @article{41432, author = {{Fuchs, Christian}}, journal = {{tripleC: Communication, Capitalism & Critique}}, number = {{1}}, pages = {{1--285}}, title = {{{Communicative Socialism/Digital Socialism}}}, doi = {{https://doi.org/10.31269/triplec.v18i1.1149}}, volume = {{18}}, year = {{2020}}, } @inbook{42370, author = {{Fuchs, Christian}}, booktitle = {{世界社会主义研究年鉴 (World Socialism Research Yearbook 2020)}}, publisher = {{Shanghai People’s Publishing House}}, title = {{{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)}}}, year = {{2020}}, } @article{42369, author = {{Fuchs, Christian}}, journal = {{国外理论动态（Foreign Theoretical Trends) 2020 (4)}}, pages = {{9--18}}, title = {{{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}}}, year = {{2020}}, } @article{42485, author = {{Fuchs, Christian}}, journal = {{tripleC: Communication, Capitalism & Critique}}, number = {{2}}, pages = {{508--509}}, title = {{{Preface to Manfred Knoche’s Article “Science Communication and Open Access: The Critique of the Political Economy of Capitalist Academic Publishers as Ideology Critique”}}}, doi = {{https://doi.org/10.31269/triplec.v18i2.1183}}, volume = {{18}}, year = {{2020}}, } @article{25903, abstract = {{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.}}, author = {{Ivanova, Alesja and Frka-Petesic, Bruno and Paul, Andrej and Wagner, Thorsten and Jumabekov, Askhat N. and Vilk, Yury and Weber, Johannes and Schmedt auf der Günne, Jörn and Vignolini, Silvia and Tiemann, Michael and Fattakhova-Rohlfing, Dina and Bein, Thomas}}, issn = {{1944-8244}}, journal = {{ACS Applied Materials & Interfaces}}, pages = {{12639--12647}}, title = {{{Cellulose Nanocrystal-Templated Tin Dioxide Thin Films for Gas Sensing}}}, doi = {{10.1021/acsami.9b11891}}, year = {{2020}}, } @article{23854, abstract = {{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.}}, author = {{Chen, Zimei and Kuckling, Dirk and Tiemann, Michael}}, issn = {{0957-4484}}, journal = {{Nanotechnology}}, publisher = {{IOP Publishing}}, title = {{{Nanoporous aluminum oxide micropatterns prepared by hydrogel templating}}}, doi = {{10.1088/1361-6528/aba710}}, volume = {{31}}, year = {{2020}}, } @article{25898, abstract = {{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.}}, author = {{Zhang, Xuyang and Weinberger, Christian and Amrehn, Sabrina and Wu, Xia and Tiemann, Michael and Wagner, Thorsten}}, issn = {{1434-1948}}, journal = {{European Journal of Inorganic Chemistry}}, pages = {{3402--3407}}, title = {{{Synthesis of Metal Oxide Inverse Opals from Metal Nitrates by PMMA Colloidal Crystal Templating}}}, doi = {{10.1002/ejic.202000517}}, year = {{2020}}, } @article{25900, abstract = {{The proton conduction properties of a phosphonato-sulfonate-based coordination polymer are studied by impedance spectroscopy using a single crystal specimen. Two distinct conduction mechanisms are identified. Water-mediated conductance along the crystal surface occurs by mass transport, as evidenced by a high activation energy (0.54 eV). In addition, intrinsic conduction by proton ′hopping′ through the interior of the crystal with a low activation energy (0.31 eV) is observed. This latter conduction is anisotropic with respect to the crystal structure and seems to occur through a channel along the c axis of the orthorhombic crystal. Proton conduction is assumed to be mediated by sulfonate groups and non-coordinating water molecules that are part of the crystal structure.}}, author = {{Javed, Ali and Wagner, Thorsten and Wöhlbrandt, Stephan and Stock, Norbert and Tiemann, Michael}}, issn = {{1439-4235}}, journal = {{ChemPhysChem}}, pages = {{605--609}}, title = {{{Proton Conduction in a Single Crystal of a Phosphonato‐Sulfonate‐Based Coordination Polymer: Mechanistic Insight}}}, doi = {{10.1002/cphc.202000102}}, year = {{2020}}, } @article{25902, abstract = {{This Special Issue on “Functional Nanoporous Materials” in the MDPI journal nanomaterials features seven original papers ...}}, author = {{Weinberger, Christian and Tiemann, Michael}}, issn = {{2079-4991}}, journal = {{Nanomaterials}}, title = {{{Functional Nanoporous Materials}}}, doi = {{10.3390/nano10040699}}, year = {{2020}}, }