Characterization of catalyst surfaces by STM image calculations

DOI10.1007/978-3-540-36183-1_12MaRDI QIDQ4643521zbMATH OpenOpenAlexFDO

Authors Roman Kovacik, Bernd Meyer, Dominik Marx

Publication date 24 May 2018

Published in High Performance Computing in Science and Engineering ’06 (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-540-36183-1_12

zbMATH Keywords

Car-Parrinello molecular dynamicshydrogenation reactionsSTM image

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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• Deacon process over RuO₂ and TiO₂-supported RuO₂
• Multi-Scale Problems in the Quantitative Characterization of Complex Catalytic Materials
• Surface states and activity of nanocatalyst: zero-range potentials model

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