Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals
Bao, Junwei Lucas; Yu, Haoyu S.; Duanmu, Kaining; Makeev, Maxim A.; Xu, Xuefei; Truhlar, Donald G.
- 期刊名称ACS Catalysis
- 作者Bao, Junwei Lucas; Yu, Haoyu S.; Duanmu, Kaining; Makeev, Maxim A.; Xu, Xuefei; Truhlar, Donald G.
- 卷第5卷
- 期第4期
- 印刷ISSN2155-5435
- 电子ISSN2155-5435
- 文件大小3618.87KB
- 发表时间2015-04-03
- DOI10.1021/cs501675t
- 页码2070-2080