A DFT study on the CO oxidative coupling to dimethyl oxalate over Pd(111)and Al-Pd(111)surfaces1

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:clarrencewarren
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  CO oxidative coupling to dimethyl o xalate(DMO)is the crucial step in coal to ethylene glycol(CTEG)[ 1].Palladium(Pd)catal ysts have bee n proved to be effective catal ysts for this process [ 2,3],and the(111)facet has been identi fied as the active plane i n catalysis [3].
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