Theoretical Studies on Catalytic Mechanism of Reaction of Methanol with Pt3 and Pt2Al

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：dapeng0429

【摘要】

：

　　The application of doping platinum cluster is one of the ways to reduce CO poisoning[1-2].Considering aluminium has small atomic mass and easy to get,we try

【作者】

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CuiShi;ZhengSun;

【机构】

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College of Chemistry and Material Science,Hebei Normal University,Rode East of 2nd Ring South,Shijia

【出处】

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第十三届全国量子化学会议

【发表日期】

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2017年期

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　　The application of doping platinum cluster is one of the ways to reduce CO poisoning[1-2].Considering aluminium has small atomic mass and easy to get,we try to study the catalytic activity of Al-doping platinum clusters on dehydrogenation of methanol.In this work,DFT calculations were employed to investigate the activation mechanism of methanol dehydrogenation to CO on Pt2Al and Pt3 clusters.The results show that the dehydrogenation mechanism of methanol on Pt2Al cluster is comparable with Pt3 cluster.

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Theoretical Studies on Catalytic Mechanism of Reaction of Methanol with Pt3 and Pt2Al

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