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Kinetics and Dynamics at Surfaces

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Measuring Transient Reaction Rates from Nonstationary Catalysts

Author(s): Dmitriy Borodin, Kai Golibrzuch, Michael Schwarzer, Jan Fingerhut, Georgios Skoulatakis, Dirk Schwarzer, Thomas Seelemann, Theofanis Kitsopoulos, Alec M. Wodtke
Published in: ACS Catalysis, Issue 10/23, 2020, Page(s) 14056-14066, ISSN 2155-5435
DOI: 10.1021/acscatal.0c03773

An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality

Author(s): Sebastian Wille, Hongyan Jiang, Oliver Bünermann, Alec M. Wodtke, Jörg Behler, Alexander Kandratsenka
Published in: Physical Chemistry Chemical Physics, Issue 22/45, 2020, Page(s) 26113-26120, ISSN 1463-9076
DOI: 10.1039/d0cp03462b

First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111)

Author(s): Oihana Galparsoro, Sven Kaufmann, Daniel J. Auerbach, Alexander Kandratsenka, Alec M. Wodtke
Published in: Physical Chemistry Chemical Physics, Issue 22/31, 2020, Page(s) 17532-17539, ISSN 1463-9076
DOI: 10.1039/d0cp02858d