Unveiling the chemistry behind the electrolytic production of hydrogen peroxide by oxygenated carbon

作     者：Pan Xiang Kunshang Yang Qihao Yang Yang Gao Wenwen Xu Zhiyi Lu Liang Chen Zhiming Wang Ziqi Tian 

作者机构：Institute of Fundamental and Frontier SciencesUniversity of Electronic Science and Technology of ChinaChengdu 610054SichuanChina Key Laboratory of Advanced Fuel Cells and Electrolyzers Technology of Zhejiang ProvinceNingbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201ZhejiangChina Institute for Advanced StudyChengdu UniversityChengdu 610106SichuanChina 

出 版 物：《Journal of Energy Chemistry》 (能源化学（英文版）)

年 卷 期：2024年第96卷第9期

页      面：49-58页

核心收录：

学科分类：0820[工学-石油与天然气工程] 081702[工学-化学工艺] 0819[工学-矿业工程] 0817[工学-化学工程与技术] 0806[工学-冶金工程] 08[工学] 0807[工学-动力工程及工程热物理] 0703[理学-化学] 

基　　金：supported by the National Natural Science Foundation of China(No.52171022,No.22105214) Zhejiang Provincial Natural Science Foundation of China(Grant No.LXR22B030001) Fujian Institute of Innovation and Chinese Academy of Sciences.K.C.Wong Education Foundation(GJTD-2019-13) the National Key Research and Development Program of China(2019YFB2203400) Ningbo Yongjiang Talent Introduction Programme(2021A-036-B) NingBo S&T Innovation 2025 Major Special Programme(No:2020z059)and the“111 Project”(B20030) 

主　　题：First-principles calculation Oxygen reductionreaction Hydrogen peroxide production Fixed-potential method Oxygenated carbon materials 

摘      要：Oxygenated carbon materials exhibit outstanding electrocatalytic performance in the production of hydrogen peroxide(H2O2)through a two-electron oxygen reduction *** nature of the active functional group and underlying reaction mechanism,however,remain ***,a comprehensive workflow was established to identify the active sites from the numerous possible *** common hydroxyl group at the notched edge demonstrates a key role in the two-electron *** local chemical environment weakens the binding of OOH intermediate to substrate while enhancing interaction with solution,thereby promoting the H_(2)O_(2)*** increasing pH,the intramolecular hydrogen bond between OOH intermediate and hydroxyl decreases,facilitating OOH ***,the rise in selectivity with increasing potential stems from the suppression of the four-electron *** active site was further validated through *** by theoretical understanding,optimal performance was achieved with high selectivity(95%)and current density(2.06 mA/cm^(2))in experiment.