电合成
催化作用
电化学
碳纤维
化学
化学吸附
一氧化碳
铜
吸附
选择性
二氧化碳电化学还原
密度泛函理论
材料科学
丙醇
无机化学
法拉第效率
有机化学
甲醇
物理化学
计算化学
电极
复合材料
复合数
作者
Jun Li,Fanglin Che,Yuanjie Pang,Chengqin Zou,Jane Y. Howe,Thomas Burdyny,Jonathan P. Edwards,Yuhang Wang,Fengwang Li,Ziyun Wang,Phil De Luna,Cao‐Thang Dinh,Tao‐Tao Zhuang,Makhsud I. Saidaminov,Shaobo Cheng,Tianpin Wu,Y. Zou Finfrock,Lu Ma,Shang‐Hsien Hsieh,Yi‐Sheng Liu
标识
DOI:10.1038/s41467-018-07032-0
摘要
Abstract The electrochemical reduction of carbon monoxide is a promising approach for the renewable production of carbon-based fuels and chemicals. Copper shows activity toward multi-carbon products from CO reduction, with reaction selectivity favoring two-carbon products; however, efficient conversion of CO to higher carbon products such as n-propanol, a liquid fuel, has yet to be achieved. We hypothesize that copper adparticles, possessing a high density of under-coordinated atoms, could serve as preferential sites for n-propanol formation. Density functional theory calculations suggest that copper adparticles increase CO binding energy and stabilize two-carbon intermediates, facilitating coupling between adsorbed *CO and two-carbon intermediates to form three-carbon products. We form adparticle-covered catalysts in-situ by mediating catalyst growth with strong CO chemisorption. The new catalysts exhibit an n-propanol Faradaic efficiency of 23% from CO reduction at an n-propanol partial current density of 11 mA cm −2 .
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