CO<sub>2</sub> and H<sub>2</sub>O Coadsorption and Reaction on the Low-Index Surfaces of Tantalum Nitride: A First-Principles DFT-D3 Investigation
A comprehensive mechanistic insight into the photocatalytic reduction of CO<sub>2</sub> by H<sub>2</sub>O is indispensable for the development of highly efficient and robust photocatalysts for artificial photosynthesis. This work presents first-principles mechanistic insights...
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Format: | Article |
Language: | English |
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MDPI AG
2020-10-01
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Series: | Catalysts |
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Online Access: | https://www.mdpi.com/2073-4344/10/10/1217 |