期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 134, 期 33, 页码 13600-13603出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja3063106
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资金
- Air Force Office of Scientific Research through MUM Program [FA9550-10-1-057]
The structural and electronic properties of the GaP(110)/H2O interface have been investigated by first-principles density functional theory calculations. Our results suggest that hydride like H atoms are present on the surface as a consequence of the dissociation of water in contact with the GaP surface. This feature opens up a new feasible reduction pathway for CO2 where the GaP(110) surface is the electrochemically active entity.
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