Dresden 2017 –
wissenschaftliches Programm
O 107: Heterogeneous Catalysis: Theory II
Freitag, 24. März 2017, 10:30–13:00, TRE Phy
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10:30 |
O 107.1 |
Catalytic activity of high index platinum surfaces — •Gabriele Tomaschun and Thorsten Klüner
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10:45 |
O 107.2 |
CH2 Stabilization at Steps on Ru(0001) by Co-Adsorbates — Xunhua Zhao, Harald Kirsch, Zefeng Ren, •Sergey V. Levchenko, and R. Kramer Campen
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11:00 |
O 107.3 |
DFT modeling of formic acid decomposition over late transition metals: on the road to lower activation barriers — •Jan Kučera and Axel Groß
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11:15 |
O 107.4 |
Trends in catalytic activity of Ni-based electrodes for the hydrogen evolution reaction — •Hannah Schlott, Marc Ledendecker, Markus Antonietti, Menny Shalom, and Bernd Meyer
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11:30 |
O 107.5 |
What is the Most Promising Dopant for the Deacon Process at RuO2 ? — •Zhen Yao and Karsten Reuter
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11:45 |
O 107.6 |
Thermal lattice Boltzmann method for catalytic flows — •Daniel Berger, Ana Smith, David Smith, and Jens Harting
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12:00 |
O 107.7 |
Is DFT accurate enough for modeling chemical kinetics? — •Sandra Döpking, Daniel Strobusch, Christoph Scheurer, Craig Plaisance, Karsten Reuter, and Sebastian Matera
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12:15 |
O 107.8 |
Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model — •Patrick Gelß, Sebastian Matera, and Christof Schütte
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12:30 |
O 107.9 |
On the effect of electromagnetic field heterogeneities on the chemical kinetics on nano-structured photocatalysts — •Sebastian Matera, Martin Hammersachmidt, Sandra Döpking, Sven Burger, and Frank Schmidt
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12:45 |
O 107.10 |
Water-Gas Shift Reaction Catalysis in Supported Ionic Liquid Phase — •Robert Stepić, Nataša Vučemilović-Alagić, Daniel Berger, Christian Wick, Jens Harting, Ana-Sunčana Smith, and David M. Smith
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