Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals-Reference-Cited by-同舟云学术

Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals

Published:2015-02-27 Issue:4 Volume:5 Page:2070-2080
ISSN:2155-5435
Container-title:ACS Catalysis
language:en
Short-container-title:ACS Catal.

Author:

Bao Junwei Lucas¹,Yu Haoyu S.¹,Duanmu Kaining¹,Makeev Maxim A.¹,Xu Xuefei¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry, Chemical Theory Center, Inorganometallic Catalyst Design Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Catalysis,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/cs501675t

Reference108 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Site-isolated iridium complexes on MgO powder: individual Ir atoms imaged by scanning transmission electron microscopy

4. Direct Dehydrogenative Amide Synthesis from Alcohols and Amines Catalyzed by γ-Alumina Supported Silver Cluster

5. Clusters as model systems for investigating nanoscale oxidation catalysis

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