High-throughput screening of perovskite oxynitride and oxide materials for visible-light photocatalysis
We performed a high-throughput screening of 29 160 perovskite oxynitrides and oxides in order to discover novel photocatalysts for water splitting by visible light. Efficient high-throughput simulations with density functional theory were performed on the K computer, which is a massively parallel mu...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2018-10-01
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| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/1.5041784 |