材料科学
掺杂剂
催化作用
可逆氢电极
格式化
法拉第效率
氧气
甲酸
氮气
密度泛函理论
化学工程
无机化学
电化学
光电子学
电极
兴奋剂
物理化学
化学
计算化学
工作电极
有机化学
工程类
作者
Bo Zhang,Yuan Chang,Yunzhen Wu,Zhaozhong Fan,Panlong Zhai,Chen Wang,Junfeng Gao,Licheng Sun,Jungang Hou
标识
DOI:10.1002/aenm.202200321
摘要
Abstract The electrochemical conversion of CO 2 into hydrocarbons is an important approach to store sustainable energy and address climate concerns. However, it is a huge challenge to unearth a promising model for elucidating the role of dopants and vacancies on catalysts upon CO 2 electroreduction. Herein, porous indium oxynitride nanosheets with simultaneous incorporation of nitrogen dopant and oxygen vacancy (V o ‐N‐InON) are reported for achieving efficient CO 2 conversion to formic acid (HCOOH). As a result, the catalyst exhibits an extremely high formate selectivity of 95.1% at a low potential of −0.8 V versus reversible hydrogen electrode (RHE) compared with pristine In 2 O 3 , V o ‐In 2 O 3 , and InN, delivering a large partial current density of 121.1 mA cm –2 for formate production at −1.13 V versus RHE in the flow cell. Density functional theory calculations reveal that the generation of *OCHO intermediate is the rate‐determining step. The synergistic effect between nitrogen dopants and oxygen vacancies contributes to the activation of CO 2 , facilitates the charge transfer, and reduces the reaction free energy of *OCHO protonation. This work not only discloses a fundamental understanding of synergistic effects between nitrogen dopants and oxygen vacancies to improve catalytic performance, but also provides an effective platform toward CO 2 conversion.
科研通智能强力驱动
Strongly Powered by AbleSci AI