Density Functional Theory Modeling of Photo-electrochemical Reactions on Semiconductors: H2 Evolution on 3C-SiC
Author:
Affiliation:
1. Department of Chemical and Biomolecular Engineering, Rice University, 6100 Main Street, Houston, Texas 77005-1892, United States
Funder
National Science Foundation
Rice University
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.0c07583
Reference74 articles.
1. Why Do We Use the Materials and Operating Conditions We Use for Heterogeneous (Photo)Electrochemical Water Splitting?
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3. Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory
4. Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
5. Implicit self-consistent electrolyte model in plane-wave density-functional theory
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