Reactivity of surface oxygen vacancy sites and frustrated Lewis acid-base pairs of In2O3 catalysts in CO2 hydrogenation.

Wei, Zhangqian; Li, Shenggang; Gao, Peng

Reactivity of surface oxygen vacancy sites and frustrated Lewis acid-base pairs of In₂O₃ catalysts in CO₂ hydrogenation.

Wei, Zhangqian; Li, Shenggang; Gao, Peng.

Afiliación

Wei Z; CAS Key Laboratory of Low-Carbon Conversion Science and Engineering, Shanghai Advanced Research Institute, Chinese Academy of Sciences, 100 Haike Road, Shanghai 201210, China. lisg@sari.ac.cn.
Li S; University of Chinese Academy of Sciences, Beijing 100049, China.
Gao P; CAS Key Laboratory of Low-Carbon Conversion Science and Engineering, Shanghai Advanced Research Institute, Chinese Academy of Sciences, 100 Haike Road, Shanghai 201210, China. lisg@sari.ac.cn.

Phys Chem Chem Phys ; 26(23): 16449-16453, 2024 Jun 12.

Article en En | MEDLINE | ID: mdl-38817205

ABSTRACT

ABSTRACT

The effects of oxygen vacancy (VO) 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 VO formation energy of 2.8-3.3 eV was found to favor HCOO formation, whereas the presence of SFLPs is conducive to CO formation.

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: China

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