Challenges in the first-principles description of reactions in electrocatalysis

Erstveröffentlichung

2011

Authors

Schnur, Sebastian

Gross, Axel

Wissenschaftlicher Artikel

Published in

Catalysis Today ; 165 (2011), 1. - S. 129-137. - ISSN 0920-5861. - eISSN 1873-4308

Link to publication

https://dx.doi.org/10.1016/j.cattod.2010.11.071

Faculties

Fakultät für Naturwissenschaften

Institutions

Institut für Theoretische Chemie

Subject headings

[Free subject headings]: Computer simulations | Density functional calculations | Molecular dynamics | Sticking | Energy dissipation | Hydrogen | Palladium | Low index single crystal surface | MOLECULAR-DYNAMICS SIMULATION | HYDROGEN ADSORPTION | DISSOCIATIVE ADSORPTION | BIMETALLIC SYSTEMS | LOCAL REACTIVITY | SURFACE SCIENCE | LIQUID WATER | METAL | CHARGE | PD
[DDC subject group]: DDC 540 / Chemistry & allied sciences | DDC 620 / Engineering & allied operations

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