电解质
肺表面活性物质
甲酸
电极
电化学
化学工程
可逆氢电极
化学
密度泛函理论
电催化剂
无机化学
计算化学
有机化学
工作电极
物理化学
工程类
生物化学
作者
Zhong Yang,Yan Xu,Jun Ma,Cheng Wang,Siyu Sheng,Chi‐Tsun Cheng,Mengxuan Li,Lu Han,Linlin Zhou,Zhao Cai,Yun Kuang,Zheng Liang,Xiaoming Sun
标识
DOI:10.1002/ange.202005522
摘要
Abstract In this work, an artificial electrode/electrolyte (E/E) interface, made by coating the electrode surface with a quaternary ammonium cation (R 4 N + ) surfactant, was successfully developed, leading to a change in the CO 2 reduction reaction (CO 2 RR) pathway. This artificial E/E interface, with high CO 2 permeability, promotes CO 2 transportation and hydrogenation, as well as suppresses the hydrogen evolution reaction (HER). Linear and branched surfactants facilitated formic acid and CO production, respectively. Molecular dynamics simulations show that the artificial interface provided a facile CO 2 diffusion pathway. Moreover, density‐functional theory (DFT) calculations revealed the stabilization of the key intermediate, OCHO*, through interactions with R 4 N + . This strategy might also be applicable to other electrocatalytic reactions where gas consumption is involved.
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