Catalysis

Oxygen evolution

Valence (chemistry)

Engineering

Chemical physics

Electrochemistry

Photochemistry

Materials science

Density functional theory

Biochemistry

Electron transfer

Chemical engineering

Faraday efficiency

Physical chemistry

Nanotechnology

Organic chemistry

Oxygen

Computational chemistry

Chemistry

Electrode

Oxygen reduction reaction

Angewandte Chemie International Edition

As electron transfer to CO2 is generally considered to be the critical step during the activation of CO2 , it is important to develop approaches to engineer the electronic properties of catalysts to improve their performance in CO2 electrochemical reduction. Herein, we developed an efficient strategy to facilitate CO2 activation by introducing oxygen vacancies into electrocatalysts with electronic-rich surface. ZnO nanosheets rich in oxygen vacancies exhibited a current density of -16.1 mA cm-2 with a Faradaic efficiency of 83 % for CO production. Based on density functional theory (DFT) calculations, the introduction of oxygen vacancies increased the charge density of ZnO around the valence band maximum, resulting in the enhanced activation of CO2 . Mechanistic studies further revealed that the enhancement of CO production by introducing oxygen vacancies into ZnO nanosheets originated from the increased binding strength of CO2 and the eased CO2 activation.

Oxygen Vacancies in ZnO Nanosheets Enhance CO <sub>2</sub> Electrochemical Reduction to CO

Oxygen Vacancies in ZnO Nanosheets Enhance CO 2 Electrochemical Reduction to CO

Oxygen Vacancies in ZnO Nanosheets Enhance CO ₂ Electrochemical Reduction to CO