@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}},
}

@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}},
}

@article{26290,
  abstract     = {{<jats:p>We devise a method to certify nonclassical features via correlations of phase-space distributions by unifying the notions of quasiprobabilities and matrices of correlation functions. Our approach complements and extends recent results that were based on Chebyshev's integral inequality \cite{BA19}. The method developed here correlates arbitrary phase-space functions at arbitrary points in phase space, including multimode scenarios and higher-order correlations. Furthermore, our approach provides necessary and sufficient nonclassicality criteria, applies to phase-space functions beyond <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>s</mml:mi></mml:math>-parametrized ones, and is accessible in experiments. To demonstrate the power of our technique, the quantum characteristics of discrete- and continuous-variable, single- and multimode, as well as pure and mixed states are certified only employing second-order correlations and Husimi functions, which always resemble a classical probability distribution. Moreover, nonlinear generalizations of our approach are studied. Therefore, a versatile and broadly applicable framework is devised to uncover quantum properties in terms of matrices of phase-space distributions.</jats:p>}},
  author       = {{Bohmann, Martin and Agudelo, Elizabeth and Sperling, Jan}},
  issn         = {{2521-327X}},
  journal      = {{Quantum}},
  title        = {{{Probing nonclassicality with matrices of phase-space distributions}}},
  doi          = {{10.22331/q-2020-10-15-343}},
  year         = {{2020}},
}

@article{26292,
  author       = {{Sperling, Jan and Walmsley, I A}},
  issn         = {{0031-8949}},
  journal      = {{Physica Scripta}},
  title        = {{{Classical evolution in quantum systems}}},
  doi          = {{10.1088/1402-4896/ab833b}},
  year         = {{2020}},
}

@article{40438,
  abstract     = {{<jats:p>Semiconductor microcavities are frequently studied in the context of semiconductor lasers and in application-oriented fundamental research on topics such as linear and nonlinear polariton systems, polariton lasers, polariton pattern formation, and polaritonic Bose–Einstein condensates. A commonly used approach to describe theoretical properties includes a phenomenological single-mode equation that complements the equation for the nonlinear optical response (interband polarization) of the semiconductor. Here, we show how to replace the single-mode equation by a fully predictive transfer function method that, in contrast to the single-mode equation, accounts for propagation, retardation, and pulse-filtering effects of the incident light field traversing the distributed Bragg reflector (DBR) mirrors, without substantially increasing the numerical complexity of the solution. As examples, we use cavities containing GaAs quantum wells and transition-metal dichalcogenides (TMDs).</jats:p>}},
  author       = {{Carcamo, M. and Schumacher, Stefan and Binder, R.}},
  issn         = {{1559-128X}},
  journal      = {{Applied Optics}},
  keywords     = {{Atomic and Molecular Physics, and Optics, Engineering (miscellaneous), Electrical and Electronic Engineering}},
  number       = {{22}},
  publisher    = {{Optica Publishing Group}},
  title        = {{{Transfer function replacement of phenomenological single-mode equations in semiconductor microcavity modeling}}},
  doi          = {{10.1364/ao.392014}},
  volume       = {{59}},
  year         = {{2020}},
}

@article{40444,
  author       = {{von Bardeleben, H. J. and Rauls, E. and Gerstmann, Uwe}},
  issn         = {{2469-9950}},
  journal      = {{Physical Review B}},
  number       = {{18}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Carbon vacancy-related centers in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mn>3</mml:mn><mml:mi>C</mml:mi></mml:math>-silicon carbide: Negative-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math> properties and structural transformation}}},
  doi          = {{10.1103/physrevb.101.184108}},
  volume       = {{101}},
  year         = {{2020}},
}

@article{17070,
  abstract     = {{<p>EPR spectroscopy reveals the universality class and dynamic effects of the [NH<sub>4</sub>][Zn(HCOO)<sub>3</sub>] hybrid formate framework.</p>}},
  author       = {{Navickas, Marius and Giriūnas, Laisvydas and Kalendra, Vidmantas and Biktagirov, Timur and Gerstmann, Uwe and Schmidt, Wolf Gero and Mączka, Mirosław and Pöppl, Andreas and Banys, Jūras and Šimėnas, Mantas}},
  issn         = {{1463-9076}},
  journal      = {{Physical Chemistry Chemical Physics}},
  pages        = {{8513--8521}},
  title        = {{{Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework}}},
  doi          = {{10.1039/d0cp01612h}},
  volume       = {{22}},
  year         = {{2020}},
}

@article{29745,
  author       = {{Biktagirov, Timur and Gerstmann, Uwe}},
  issn         = {{2643-1564}},
  journal      = {{Physical Review Research}},
  keywords     = {{General Engineering}},
  number       = {{2}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Spin-orbit driven electrical manipulation of the zero-field splitting in high-spin centers in solids}}},
  doi          = {{10.1103/physrevresearch.2.023071}},
  volume       = {{2}},
  year         = {{2020}},
}

@article{19189,
  abstract     = {{Density-functional theory calculations of (TiO2)n clusters (n = 1–5) in the gas phase and adsorbed on pristine graphene as well as graphene quantum dots are presented. The cluster adsorption is found to be dominated by van der Waals forces. The electronic structure and in particular the excitation energies of the bare clusters and the TiO2/graphene composites are found to vary largely in dependence on the size of the respective constituents. This holds in particular for the energy and the spatial localization of the highest occupied and lowest unoccupied molecular orbitals. In addition to a substantial gap narrowing, a pronounced separation of photoexcited electrons and holes is predicted in some instances. This is expected to prolong the lifetime of photoexcited carriers. Altogether, TiO2/graphene composites are predicted to be promising photocatalysts with improved electronic and photocatalytic properties compared to bulk TiO2.}},
  author       = {{Badalov, Sabuhi and Wilhelm, René and Schmidt, Wolf Gero}},
  issn         = {{0192-8651}},
  journal      = {{Journal of Computational Chemistry}},
  pages        = {{1921--1930}},
  publisher    = {{Willey}},
  title        = {{{Photocatalytic properties of            graphene‐supported            titania clusters from            density‐functional            theory}}},
  doi          = {{10.1002/jcc.26363}},
  year         = {{2020}},
}

@article{20773,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Semiconductor quantum dots are excellent candidates for ultrafast coherent manipulation of qubits by laser pulses on picosecond timescales or even faster. In inhomogeneous ensembles a macroscopic optical polarization decays rapidly due to dephasing, which, however, is reversible in photon echoes carrying complete information about the coherent ensemble dynamics. Control of the echo emission time is mandatory for applications. Here, we propose a concept to reach this goal. In a two-pulse photon echo sequence, we apply an additional resonant control pulse with multiple of 2<jats:italic>π</jats:italic> area. Depending on its arrival time, the control slows down dephasing or rephasing of the exciton ensemble during its action. We demonstrate for self-assembled (In,Ga)As quantum dots that the photon echo emission time can be retarded or advanced by up to 5 ps relative to its nominal appearance time without control. This versatile protocol may be used to obtain significantly longer temporal shifts for suitably tailored control pulses.</jats:p>}},
  author       = {{Kosarev, Alexander N. and Rose, Hendrik and Poltavtsev, Sergey V. and Reichelt, Matthias and Schneider, Christian and Kamp, Martin and Höfling, Sven and Bayer, Manfred and Meier, Torsten and Akimov, Ilya A.}},
  issn         = {{2399-3650}},
  journal      = {{Communications Physics}},
  number       = {{1}},
  title        = {{{Accurate photon echo timing by optical freezing of exciton dephasing and rephasing in quantum dots}}},
  doi          = {{10.1038/s42005-020-00491-2}},
  volume       = {{3}},
  year         = {{2020}},
}

@article{43747,
  abstract     = {{Vortices are topological objects representing the circular motion of a fluid. With their additional degree of freedom, the vorticity, they have been widely investigated in many physical systems and different materials for fundamental interest and for applications in data storage and information processing. Vortices have also been observed in non-equilibrium exciton-polariton condensates in planar semiconductor microcavities. There they appear spontaneously or can be created and pinned in space using ring-shaped optical excitation profiles. However, using the vortex state for information processing not only requires creation of a vortex but also efficient control over the vortex after its creation. Here we demonstrate a simple approach to control and switch a localized polariton vortex between opposite states. In our scheme, both the optical control of vorticity and its detection through the orbital angular momentum of the emitted light are implemented in a robust and practical manner.}},
  author       = {{Meier, Torsten and Ma, Xuekai and Berger, Bernd and Aßmann, Marc and Driben, Rodislav and Schneider, Christian and Höfling, Sven and Schumacher, Stefan}},
  journal      = {{Nature communications}},
  number       = {{1}},
  pages        = {{897}},
  publisher    = {{Nature Publishing Group UK}},
  title        = {{{Realization of all-optical vortex switching in exciton-polariton condensates}}},
  doi          = {{10.1038/s41467-020-14702-5}},
  volume       = {{11}},
  year         = {{2020}},
}

@inproceedings{20770,
  author       = {{Hannes, Wolf-Rüdiger and Meier, Torsten}},
  booktitle    = {{Ultrafast Phenomena and Nanophotonics XXIV}},
  editor       = {{Betz, Markus and Elezzabi, Abdulhakem Y.}},
  isbn         = {{9781510633193}},
  pages        = {{112780S}},
  title        = {{{k.p-based multiband simulations of non-degenerate two-photon absorption in bulk GaAs}}},
  doi          = {{10.1117/12.2545924}},
  volume       = {{11278}},
  year         = {{2020}},
}

@article{20563,
  author       = {{Hannes, W.-R. and Trautmann, Alexander and Stein, M. and Schäfer, F. and Koch, M. and Meier, Torsten}},
  journal      = {{Physical Review B}},
  number       = {{7}},
  pages        = {{075203}},
  publisher    = {{American Physical Society}},
  title        = {{{Strongly nonresonant four-wave mixing in semiconductors}}},
  doi          = {{10.1103/PhysRevB.101.075203}},
  volume       = {{101}},
  year         = {{2020}},
}