Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts

Published 2016 View Full Article

Authors

Keywords

Bulk-surface relationship (BSR), Density functional theory (DFT), Metal oxide catalyst, High-throughput screening (HTS), Ligand field, Correlation study

Journal

APPLIED SURFACE SCIENCE

Volume 370, Issue -, Pages 279-290

Publisher

Elsevier BV

Online

2016-02-10

DOI

10.1016/j.apsusc.2016.02.093

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