Insight into the functional mechanism of Al component in CuZnAl catalysts during ethanol synthesis

来源 :第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018) | 被引量 : 0次 | 上传用户：hhlovels

【摘要】

：

　　An in-depth understanding of the reaction mechanism at the molecular level is the key to guide the synthesis of ethanol over the CuZnAl catalyst,which is on

【作者】

：

Lin Zhang Bing Bai Zhi-Hua Gao Zhi-Jun Zuo Yong-Kang Lv Hui Bai Wei Huang

【机构】

：

KeyLaboratoryofCoalScienceandTechnologyofMinistryofEducationandShanxiProvince,TaiyuanUniversityofTec

【出处】

：

第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018)

【发表日期】

：

2018年5期

【关键词】

：

Ethanol γ-AlOOH DFT Bader charge Nucleophilic attack

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　　An in-depth understanding of the reaction mechanism at the molecular level is the key to guide the synthesis of ethanol over the CuZnAl catalyst,which is one of the major challenges for ethanol application in energy.

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Insight into the functional mechanism of Al component in CuZnAl catalysts during ethanol synthesis

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