First Principles Calculations on Oxide-Based Heterogeneous Catalysts and Photocatalysts: Problems and Advances

标题
First Principles Calculations on Oxide-Based Heterogeneous Catalysts and Photocatalysts: Problems and Advances
作者
关键词
Band gap, Band alignment, Reaction energies, DFT, Hybrid functionals
出版物
CATALYSIS LETTERS
Volume 145, Issue 1, Pages 80-94
出版商
Springer Nature
发表日期
2014-10-13
DOI
10.1007/s10562-014-1386-2

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