Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches-Reference-Cited by-同舟云学术

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Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches

Published:2020-04-14 Issue:14 Volume:152 Page:144703
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Heenen Hendrik H.¹^ORCID,Gauthier Joseph A.²³^ORCID,Kristoffersen Henrik H.¹^ORCID,Ludwig Thomas²³^ORCID,Chan Karen¹^ORCID

Affiliation:

1. Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark

2. SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA

3. SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA

Funder

Joint Center for Artificial Photosynthesis

DOE CGSF

Villum Fonden

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5144912

Reference65 articles.

1. Toward an Atomic-Scale Understanding of Electrochemical Interface Structure and Dynamics

2. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

3. Challenges in the first-principles description of reactions in electrocatalysis

4. Revised self-consistent continuum solvation in electronic-structure calculations

5. Implicit self-consistent electrolyte model in plane-wave density-functional theory

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