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

Author:

Wei Zhangqian12,Li Shenggang1234ORCID,Gao Peng124ORCID

Affiliation:

1. CAS Key Laboratory of Low-Carbon Conversion Science and Engineering, Shanghai Advanced Research Institute, Chinese Academy of Sciences, 100 Haike Road, Shanghai 201210, China

2. University of Chinese Academy of Sciences, Beijing 100049, China

3. School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China

4. State Key Laboratory of Low Carbon Catalysis and Carbon Dioxide Utilization, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China

Abstract

The effects of VO formation energies and surface frustrated Lewis acid–base pairs on CO2 hydrogenation over In2O3 catalysts were studied using DFT calculations.

Funder

Program of Shanghai Academic Research Leader

Science and Technology Commission of Shanghai Municipality

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

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