电催化剂
选择性
法拉第效率
催化作用
铜
材料科学
纳米晶
密度泛函理论
化学工程
碳纤维
二氧化碳电化学还原
纳米技术
氧化还原
无机化学
电化学
化学
物理化学
电极
有机化学
冶金
计算化学
一氧化碳
工程类
复合材料
复合数
作者
Pengtang Wang,Hao Yang,Yong Xu,Xiaoqing Huang,Juan Wang,Miao Zhong,Tao Cheng,Qi Shao
出处
期刊:ACS Nano
[American Chemical Society]
日期:2020-12-30
卷期号:15 (1): 1039-1047
被引量:62
标识
DOI:10.1021/acsnano.0c07869
摘要
The design of efficient copper-based (Cu-based) carbon dioxide reduction (CO2RR) electrocatalysts is crucial for converting CO2 to value-added liquid products. In this work, we demonstrate that the strong synergy between Cu core and ultrathin lead (Pb) shell (0.7 nm) in the Cu/Pb core/shell nanocrystals (NCs, CuPb-0.7/C) significantly boosts the electrocatalytic reduction of CO2 toward C2+ products (products with at least two carbon atoms). Specifically, when applying in a flow cell system, the Faradaic efficiency (FE) of total C2+ products and the selectivity of C2+ liquid products are as high as 81.6% and 49.5%, respectively. Moreover, the current density of C2+ liquid products reaches 196.8 mA cm–2, outperforming most of the reported Cu-based catalysts for CO2RR toward the production of C2+ liquid products. Density functional theory calculations indicate that the synergized Cu/Pb core/shell NCs reduce the formation energies of *COOH and *OCCOH intermediates, as the two critical intermediates for the reduction of CO2 to CO and the formation of C2+ products, respectively, and leads to the significant increase in the selectivity of C2+ liquid products. This study provides a efficient Cu-based catalyst for the reduction of CO2, highlighting the importance of synergistic effect for the design of electrocatalysts in catalysis.
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