The adsorption and hydrogenation of CO2 over Fe-based bimetallic catalystsA DFT study

来源 :2016年理论与高性能计算化学国际会议(International Conference on Theoretical | 被引量 : 0次 | 上传用户：antoneychang

【摘要】

：

　　CO2 has been known as the major greenhouse gas which impacts the climate all over the world[1].Fe-based catalysts have been used to convert CO2 to olefin-ri

【作者】

：

Haozhi Wang Xiaowa Nie Xinwen Guo Chunshan Song

【机构】

：

StateKeyLaboratoryofFineChemicals,PSU-DUTJointCenterforEnergyResearch,SchoolofChemicalEngineering,Da

【出处】

：

2016年理论与高性能计算化学国际会议(International Conference on Theoretical

【发表日期】

：

2016年1期

【关键词】

：

Carbon dioxide Hydrogenation Adsorption Fe-based catalyst DFT

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论文部分内容阅读

　　CO2 has been known as the major greenhouse gas which impacts the climate all over the world[1].Fe-based catalysts have been used to convert CO2 to olefin-rich hydrocarbons through hydrogenation [2-4].Density functional theory(DFT)calculations were used in this study to investigate the adsorption,activation,and hydrogenation of CO2 over various Fe-based catalysts.

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The adsorption and hydrogenation of CO2 over Fe-based bimetallic catalystsA DFT study

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