文献类型：期刊文献

英文题名：Data- and Theory-Guided Design of Dual-Role V-Doped RuO2 for High-Performance Acidic Oxygen Evolution

作者：Liu, Zhongliang[1];Liu, Heng[2];Zhou, Kai[1];Liu, Miaomiao[3];Xue, Tianrui[1];Zhang, Jian[1];Song, Yiting[1];Cui, Jialin[1];Li, Hao[2];Li, Huihui[1];Li, Chunzhong[1,4]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, Minist Educ, Key Lab Ultrafine Mat, Shanghai, Peoples R China;[2]Tohoku Univ, Adv Inst Mat Res WPI AIMR, Sendai, Japan;[3]Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai, Peoples R China;[4]East China Univ Sci & Technol, Shanghai Engn Res Ctr Hierarch Nanomat, Sch Mat Sci & Engn, Shanghai, Peoples R China

年份：2026

外文期刊名：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

收录：;EI(收录号：20262320872900);WOS:【SCI-EXPANDED(收录号:WOS:001785867400001)】；

基金：This work was supported by the National Natural Science Foundation of China (U22B20143, U24A20546, 22522809, 22478121), the Shanghai Municipal Science and Technology Major Project, the Fundamental Research Funds for the Central Universities (JKA01261724), and JSPS KAKENHI (Nos. JP25K01737 and JP25H01508). We thank the Shanghai Synchrotron Radiation Facility of BL14W1 (https://cstr.cn/31124.02.SSRF.BL14W1) for the assistance on XAFS measurements. We acknowledge the MASAMUNE-IMR at the Center for Computational Materials Science (Institute for Materials Research, Tohoku University) (Nos. 202512-SCKXX-0218 and 202512-SCKXX-0203) and the Institute for Solid State Physics (ISSP) at the University of Tokyo for providing supercomputer resources.

语种：英文

外文关键词：deprotonation; Lewis acids; oxygen evolution reaction; theory-guided

摘要：Developing efficient acidic oxygen evolution reaction (OER) catalysts is crucial for proton exchange membrane water electrolyzers (PEMWE). By mining a dataset of 718 reported catalysts, we statistically identified that multi-metal Ru-based oxides significantly outperform monometallic counterparts (median overpotential: 210 vs. 283 mV). Guided by this insight, microkinetic modeling screened 20 metal dopants, pinpointing vanadium as a promising candidate. The synthesized V-doped RuO2 (RV) exhibits an ultralow overpotential of 193 +/- 1 mV at 10 mA cm-2 and robust stability for 3000 h. In a practical PEMWE device, RV achieves an industrial current density of 1 A cm-2 at only 1.725 V and sustains operation for 140 h at 200 mA cm-2. Mechanistic studies reveal that V-doping plays a dual role in RuO2. It induces Lewis acidic Ru sites to accelerate deprotonation kinetics, while simultaneously acting as a dynamic redox buffer to prevent Ru over-oxidation. This work shows how data- and theory-guided screening, combined with mechanistic investigation, can accelerate the discovery and understanding of high-performance RuO2-based acidic OER catalysts.