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5. CO Adsorption and Dissociation on Fe5C2 Surfaces:A DFT Study

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

【摘 要】

：

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)

【作 者】

：

Yurong He Wenping Guo Chun-Fang Huo Xiao-Dong Wen Yong-Wang Li 

【机 构】

：

State Key Laboratory of Coal Conversion,Institute of Coal Chemistry,Chinese Academy of Sciences,Taiy

【出 处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

Fischer-Tropsch Adsorption Dissociation CO H(a)gg carbide(Fe5C2) DFT 

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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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