催化作用
甲醇
烯烃
乙醇
化学
酒
醛
化学工程
密度泛函理论
纳米技术
材料科学
组合化学
有机化学
计算化学
工程类
作者
Yang Wang,Kangzhou Wang,Baizhang Zhang,Xiaobo Peng,Xinhua Gao,Guohui Yang,Han Hu,Mingbo Wu,Noritatsu Tsubaki
出处
期刊:ACS Catalysis
[American Chemical Society]
日期:2021-09-07
卷期号:11 (18): 11742-11753
被引量:111
标识
DOI:10.1021/acscatal.1c01504
摘要
It is still a challenge to realize highly efficient conversion of CO2 to a single target chemical. Herein, substantial progress has been made, both in catalyst design and reaction route exploration, for the direct conversion of CO2 to ethanol. An alkene synthesis Na-Fe@C catalyst was integrated with another potassium-doped methanol synthesis CuZnAl catalyst to realize the direct conversion of CO2 (39.2%) to ethanol (35.0%) selectively, accompanied by some useful alkene formation (33.0%). More in-depth in situ characterizations and density functional theory (DFT) calculations suggested that the unique catalytic interfaces, intimacy modes of the multifunctional catalysts, as well as the intermediate of aldehyde species played vital roles in the higher conversion rate of CO2 to ethanol. Moreover, the multifunctional catalyst is easy to fabricate, regenerate, and recycle, being very close to the real industry application. Therefore, this work is promising to enrich the horizon of the economical utilization of CO2 for renewable chemical synthesis.
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