A DFT study on CO oxidative coupling to dimethyl oxalate over Pd-Me (Me=Cu, Al, Ag ) catalysts1

来源 :第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018) | 被引量 : 0次 | 上传用户:hutao95
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  CO oxidative coupling to dimethyl oxalate (DMO) is the crucial step in coal to ethylene glycol (CTEG) [1].Palladium (Pd) catalysts have been proved to be effective catalysts for this process [2],and the (111) facet has been identified as the active plane in catalysis [3].However,Pd catalyst is a noble metal catalyst resulting in a great increase in the cost of production,thus how to reduce the usage of Pd is an urgent problem.Bimetallic catalysts have been used in a great number of reactions to reduce usage of noble metal catalysts and keep or improve catalytic performance.
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