Simulating Electrochemical Systems by Combining the Finite Field Method with a Constant Potential Electrode
Author:
Funder
H2020 European Research Council
Agence Nationale de la Recherche
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.123.195501/fulltext
Reference22 articles.
1. First-principles computational electrochemistry: Achievements and challenges
2. Toward an Atomic-Scale Understanding of Electrochemical Interface Structure and Dynamics
3. First-Principles Molecular Dynamics at a Constant Electrode Potential
4. Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials
5. Hybrid solvation models for bulk, interface, and membrane: Reference interaction site methods coupled with density functional theory
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