Surface Facets Reconstruction in Copper‐Based Materials for Enhanced Electrochemical CO<sub>2</sub> Reduction
Zezhong Xie, Qiushi Wang, Hao Yang, Jin Feng, Jian Chen, Shuqin Song, Changgong Meng, Kun Wang, Yexiang Tong
Abstract
Abstract The unavoidable and unpredictable surface reconstruction of metallic copper (Cu) during the electrocatalytic carbon dioxide (CO 2 ) reduction process is a double‐edged sword affecting the production of high‐value‐added hydrocarbon products. It is crucial to control the surface facet reconstruction and regulate the targeted facets/facet interfaces, and further understand the mechanism between activity/selectivity and the reconstructed structure of Cu for CO 2 reduction. Based on the current catalyst design methods, a facile strategy combining chemical reduction and electro‐reduction is proposed to achieve specified Cu(111) facets and the Cu(110)/(111) interfaces in reconstructed Cu derived from cuprous oxide (Cu 2 O). The surface facet reconstruction significantly boosted the electrocatalytic conversion of CO 2 into multi‐carbon (C 2+ ) products comparing to the unmodified catalyst. Theoretical and experimental analyses show that the Cu(110)/(111)s interface between Cu(110) and a small amount of Cu(111) can tailor the reaction routes and lower the reaction energy barrier of C–C coupling to ethylene (C 2 H 4 ). The work will guide the surface facets reconstruction strategy for Cu‐based CO 2 electrocatalysts, providing a promising paradigm to understand the structural variation in catalysts.