Výsledky vyhledávání - "Gruhn, Thomas"

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Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Autor: Emmerich, Heike, Löwen, Hartmut, Wittkowski, Raphael, Gruhn, Thomas, Tóth, Gyula I., Tegze, György, Gránásy, László

Publikováno v: Advances in Physics, volume 61, issue 6, pages 665-743 (2012)

Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method oper

Externí odkaz: http://arxiv.org/abs/1207.0257

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Theoretical Study of New Acceptor and Donor Molecules based on Polycyclic Aromatic Hydrocarbons

Autor: Naghavi, S. Shahab, Gruhn, Thomas, Alijani, Vajiheh, Fecher, Gerhard H., Felser, Claudia, Medjanik, Katerina, Kutnyakhov, Dmytro, Nepijko, Sergej A., Sch?onhense, Gerd, Rieger, Ralph, Baumgarten, Martin, M?ullen, Klaus

Functionalized polcyclic aromatic hydrocarbons (PAHs) are an interesting class of molecules in which the electronic state of the graphene-like hydrocarbon part is tuned by the functional group. Searching for new types of donor and acceptor molecules,

Externí odkaz: http://arxiv.org/abs/1012.3028

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Indium-Gallium Segregation in CuIn$_{x}$Ga$_{1-x}$Se$_2$: An ab initio based Monte Carlo Study

Autor: Ludwig, Christian D. R., Gruhn, Thomas, Felser, Claudia, Schilling, Tanja, Windeln, Johannes, Kratzer, Peter

Thin-film solar cells with CuIn$_x$Ga$_{1-x}$Se$_2$ (CIGS) absorber are still far below their efficiency limit, although lab cells reach already 19.9%. One important aspect is the homogeneity of the alloy. Large-scale simulations combining Monte Carl

Externí odkaz: http://arxiv.org/abs/1004.1080

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