Reactivity of surface oxygen vacancy sites and frustrated Lewis acid-base pairs of In2O3 catalysts in CO2 hydrogenation
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作者
Wei, Zhangqian; Li, Shenggang; Gao, Peng
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刊物名称
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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年、卷、文献号
2024, 26, 1463-9084
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关键词
Wei, Zhangqian; Li, Shenggang; Gao, Peng
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摘要
The effects of oxygen vacancy (V-O) formation energy and surface frustrated Lewis acid-base pairs (SFLPs) on the CO2 hydrogenation activity of In2O3 catalysts were studied using density functional theory calculations. The V-O formation energy of 2.8-3.3 eV was found to favor HCOO formation, whereas the presence of SFLPs is conducive to CO formation.
