Non-precious metal oxides with high catalytic efficiency have attracted comprehensive attention. Herein, combining with experiment and theory, we systemically studied hydrogenation of ethylene and aryl nitro compounds on oxygen vacancies of non-precious metal oxides (Co3O4-x, WO3-x and Fe2O3-x), and discussed the dependency relationship between hydrogenation activity, selectivity and oxygen vacancy concentration. Then density functional theory calculations were conducted to unveil the role of oxygen vacancies and explain the hydrogenation of ethylene and aryl nitro compounds mechanism. The electronic structure analysis with kinetic calculation further clarified the relationship between structural modification of the catalyst and the catalytic performance. The results show that hydrogenation reaction on non-precious metal oxides closely depends on the concentration of oxygen vacancies, and metal oxides with oxygen vacancies are promising hydrogenation catalysts for industrial applications.

Role of oxygen vacancies in hydrogenation reaction on non-precious metal oxides: experiment and DFT studies

255th National Meeting (2018)

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