文献类型：期刊文献

英文题名：Retained Oxygen Regulation in Oxide-Derived Copper for Promoted CO2 Electroreduction Toward Multicarbon Products

作者：Wang, Huan[1];Yang, Hai Xiang[1];Xu, Yi Ning[1];Fu, Huai Qin[2];Li, Xin Yan[1];He, Jing Jing[3];Niu, Qiang[3];Wu, Jia Chen[1];Yuan, Hai Yang[1];Liu, Peng Fei[1];Yang, Hua Gui[1]

机构：[1]East China Univ Sci & Technol, Sch Mat Sci & Engn, Key Lab Ultrafine Mat, Minist Educ, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]Griffith Univ, Ctr Catalysis & Clean Energy, Gold Coast Campus, Gold Coast, Qld 4222, Australia;[3]Natl Enterprise Technol Ctr Inner Mongolia Erdos E, Ordos 016064, Inner Mongolia, Peoples R China

年份：2025

卷号：64

期号：25

外文期刊名：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

收录：;EI(收录号：20252518622542);WOS:【SCI-EXPANDED(收录号:WOS:001470692900001)】；

基金：This work was financially supported by the National Natural Science Foundation of China (22379043 and 22239001), the Shanghai Pilot Program for Basic Research (22TQ1400100-12), the Science and Technology Commission of Shanghai Municipality (23520710700 and 23ZR1416800), and the Fundamental Research Funds for the Central Universities. The authors would like to thank Shanghai Aitins Technology Co., Ltd. for their professional support and assistance in first-principles calculations. The authors also thank the Frontiers Science Center for Materiobiology and Dynamic Chemistry, the crew of the 1W1B beamline at the Beijing Synchrotron Radiation Facility (BSRF) for their constructive assistance with the XAFS measurements and data analyses.

语种：英文

外文关键词：Molecular dynamic simulation; Multicarbon products; Oxide-derived copper; Reconstruction; Retained oxygen

摘要：Electrochemical CO2 reduction to multicarbon products provides an attractive route to store intermittent renewable electricity as high value-added chemicals. Oxide-derived Cu (OD-Cu) has been widely investigated for its tunable selectivity toward multicarbon (C2+) products; however, it still remains a challenge to understand and regulate the retained oxygen of OD-Cu in the complex reconstruction process. In this work, we investigate thickness determined residual oxygen in OD-Cu, using CuO nanosheets as prototype precatalysts. When the thickness of CuO precatalyst decreased to 1.6 nm, the enhancement of the ability to retain oxygen are achieved, leading to selective C2+ production with Faradaic efficiency of around 80% over a wide current density range of 300-700 mA cm-2 with a peak value of 84.6% at 700 mA cm-2. Long-time molecular dynamics simulations reveal the enhanced stability of Cu-CuO structure with the layers of removed oxygen increased, favoring *CHO formation and *OC-CHO coupling toward C2+ products; structural characterizations and electrochemical results further demonstrate the reconstructed stacked nanosheets with high oxygen retention capacity and easily reoxidized metallic Cu sites. This work underscores the crucial role of the retained oxygen for the OD-Cu performance and provides insights into designing OD-Cu with oxygen retention to enhance C2+ products formation.