首页|Modified Cu active sites by alloying for efficient electrocatalytic reduction CO2 to CO

Modified Cu active sites by alloying for efficient electrocatalytic reduction CO2 to CO

扫码查看
原文链接
  • NETL
  • NSTL
  • 万方数据
Transition metals like Au,Ag,and Cu have been reported to be quite active for CO2 reduction.In this study,we use density functional theory(DFT)calculation to investigate the electronic structure and cat-alytic performance of Au,Ag,Cu and their alloys for CO2 reduction reaction(CO2RR).Theoretical calcula-tions identified the combination of Ag,Cu,and Au in a face-centered cubic(fcc)alloy as an outstanding electrocatalyst for CO2 reduction to CO,with Cu as the active site.The d-orbital projected density of state(PDOS)profile suggests that alloying alters the electronic structure of the Cu site,thereby affecting the Gibbs free energy change for the formation of*COOH intermediate(△G·COOH).To demonstrate the theo-retical prediction experimentally,we employ a top-down dealloying approach to synthesize a nano-porous structured AgCuAu alloy(NP-Ag5Cu5Au5).Electrochemical experiments validate that the ternary alloy catalyst is clearly better than unary and binary catalysts,showing a Faradaic efficiency(FE)for CO over 90％across a broad potential range of 0.6 V,with a peak of approximately 96％at-0.573 V vs.RHE.This study underscores the potential of multi-component alloys in CO2RR and establishes a theoretical basis for designing efficient catalysts for CO2 utilization.

CO2 reductionCOMulti-component alloyNano-porousElectrocatalyst

Yan Wang、Ruikuan Xie、Naixuan Ci、Zhiyuan Zhu、Chaoyi Li、Guoliang Chai、Hua-Jun Qiu、Yinghe Zhang

展开 >

School of Science,Harbin Institute of Technology,Shenzhen 518055,Guangdong,China

State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou 350002,Fujian,China

School of Materials Science and Engineering,Harbin Institute of Technology,Shenzhen 518055,Guangdong,China

Shenzhen Key Laboratory of Advanced Functional Carbon Materials Research and Comprehensive Application,Harbin Institute of Technology,Shenzhen 518055,Guangdong,China

展开 >

2024

10.1016/j.jechem.2024.08.005

能源化学
中国科学院大连化学物理研究所 中国科学院成都有机化学研究所

能源化学

CSTPCDEI
影响因子：0.654
ISSN：2095-4956
年,卷(期)：2024.99(12)