Interface Molecular Functionalization of Cu2O for Synchronous Electrocatalytic Generation of Formate,Nano Letters

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Interface Molecular Functionalization of Cu2O for Synchronous Electrocatalytic Generation of Formate
Nano Letters ( IF 9.6 ) Pub Date : 2022-07-26 , DOI: 10.1021/acs.nanolett.2c01942
Dongxing Tan ₁ , Bari Wulan ₁ , Jizhen Ma ₁ , Xueying Cao ₁ , Jintao Zhang ₁

Affiliation

The electrocatalytic generation of valuable fuels and chemicals from carbon dioxide (CO₂) and others with the assistance of clean solar energy is a highly promising way to realize the carbon-neutral cycle, which invokes the systematic development of advanced electrocatalysts for efficient and selective redox reactions of feedstocks. Herein, we demonstrate the interface modification of cuprous oxide with polyvinylpyrrolidone (PVP) to improve the electrocatalytic efficiency for the synchronous formate generation. Density functional theory calculations reveal that the interfacial properties can be effectively regulated by the PVP functionalization for the favorable formation of intermediates to improve the selectivity of formate generation. Importantly, the advanced electrocatalyts enable an efficient coupling of CO₂ reduction with methanol oxidation in an electrochemical cell powered with a solar cell. The work provides a predictive link between the electrocatalytic redox reactions by applying the interfacial regulation strategies of electrocatalysts.

中文翻译：

Cu2O的界面分子功能化用于同步电催化生成甲酸盐

从二氧化碳（CO _{2 ）电催化产生有价值的燃料和化学品}) 和其他在清洁太阳能的帮助下是实现碳中和循环的一种非常有前景的方法，这需要系统开发先进的电催化剂，以实现原料的高效和选择性氧化还原反应。在此，我们展示了氧化亚铜与聚乙烯吡咯烷酮（PVP）的界面改性，以提高同步甲酸生成的电催化效率。密度泛函理论计算表明，PVP功能化可以有效调节界面性质，有利于中间体的形成，提高甲酸盐生成的选择性。重要的是，先进的电催化剂能够有效地耦合 CO ₂在由太阳能电池供电的电化学电池中用甲醇氧化还原。这项工作通过应用电催化剂的界面调节策略，提供了电催化氧化还原反应之间的预测联系。

更新日期：2022-07-26

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