Theoretical study of two-dimensional bis(iminothiolato)metal monolayers as promising electrocatalysts for carbon dioxide reduction

2020 ◽  
Vol 44 (28) ◽  
pp. 12299-12306
Author(s):  
Guanru Xing ◽  
Lin Cheng ◽  
Kai Li ◽  
Yan Gao ◽  
Hao Tang ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Theoretical Study ◽  
Carbon Dioxide Reduction ◽  
Two Dimensional ◽  
Co Poisoning

MnIT is a good CO2RR catalyst for HCOOH production and CO poisoning is prohibited.

scholarly journals How palladium inhibits CO poisoning during electrocatalytic formic acid oxidation and carbon dioxide reduction

2022 ◽  
Vol 13 (1) ◽  
Author(s):  
Xiaoting Chen ◽  
Laura P. Granda-Marulanda ◽  
Ian T. McCrum ◽  
Marc T. M. Koper
Keyword(s):  
Carbon Dioxide ◽  
Formic Acid ◽  
Modified Electrode ◽  
Density Functional ◽  
Formic Acid Oxidation ◽  
Carbon Dioxide Reduction ◽  
Acid Oxidation ◽  
Co Poisoning ◽  
Platinum Single Crystal ◽  
Single Crystal Electrode

AbstractDevelopment of reversible and stable catalysts for the electrochemical reduction of CO2 is of great interest. Here, we elucidate the atomistic details of how a palladium electrocatalyst inhibits CO poisoning during both formic acid oxidation to carbon dioxide and carbon dioxide reduction to formic acid. We compare results obtained with a platinum single-crystal electrode modified with and without a single monolayer of palladium. We combine (high-scan-rate) cyclic voltammetry with density functional theory to explain the absence of CO poisoning on the palladium-modified electrode. We show how the high formate coverage on the palladium-modified electrode protects the surface from poisoning during formic acid oxidation, and how the adsorption of CO precursor dictates the delayed poisoning during CO2 reduction. The nature of the hydrogen adsorbed on the palladium-modified electrode is considerably different from platinum, supporting a model to explain the reversibility of this reaction. Our results help in designing catalysts for which CO poisoning needs to be avoided.

Two-dimensional π-conjugated metal bis(dithiolene) nanosheets as promising electrocatalysts for carbon dioxide reduction: a computational study

2019 ◽  
Vol 7 (25) ◽  
pp. 15341-15346 ◽  
Author(s):  
Yu Tian ◽  
Changyan Zhu ◽  
Likai Yan ◽  
Jingxiang Zhao ◽  
Zhongmin Su
Keyword(s):  
Carbon Dioxide ◽  
Electrocatalytic Activity ◽  
Computational Study ◽  
Carbon Dioxide Reduction ◽  
Two Dimensional ◽  
High Carbon ◽  
High Carbon Dioxide

Two-dimensional π-conjugated metal bis(dithiolene) nanosheets exhibit high carbon dioxide reduction electrocatalytic activity.

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