Improve Catalytic activity by Tuning Surface Strain of Fe Nanoparticles

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:Lucy
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  DFT calculations about CO dissociation and CH4 formation on the iron surface indicate that higher CO conversion and lower CH4 production would be obtained on the sites like those on Fe(211)and Fe(310).
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