Effect of Hydrogen in Adsorption and Direct Dissociation of CO on Fe (100) Surface: A DFT Study

来源 :美国分析化学(英文) | 被引量 : 0次 | 上传用户：q412202242

【摘要】

：

Density functional theory was employed to investigate the effect of the hydrogen in the adsorption and direct dissociation of CO on Fe (100) surface. The preads

【作者】

：

Sebastián Amaya-Roncancio

【机构】

：

DepartmentofPhysics,DepartmentofChemistry—ICEx

【出处】

：

美国分析化学(英文)

【发表日期】

：

2015年1期

【关键词】

：

ADSORPTION DISSOCIATION Carbon MONOXIDE Density Functional CALCULATIONS IRON Ads

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Density functional theory was employed to investigate the effect of the hydrogen in the adsorption and direct dissociation of CO on Fe (100) surface. The preadsorption of hydrogen with coverages of 0, 1/3 and 2/3 monolayer (ML) was used in the present inv

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Effect of Hydrogen in Adsorption and Direct Dissociation of CO on Fe (100) Surface: A DFT Study

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