CO Adsorption and Dissociation on Fe5C2 Surfaces:A DFT Study

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:maoxinlan
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  In practical Fischer-Tropsch synthesis,the initial catalyst precursor(α-Fe2O3)is firstly reduced to magnetite(Fe3O4)and then converted to a mixture of iron oxide and carbide phases.Among them,the H(a)gg carbide(χ-Fe5C2)is found to be a main active phase.
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