Revealing the Synergy of Cation and Anion Vacancies on Improving Overall Water Splitting Kinetics

• DOI: 10.1002/adfm.202010718
• Publication Date: 2021-03-15T04:05:46Z
• Authors: Yang Liu; Huong T. D. Bui; Amol R. Jadhav; Taehun Yang; Shahid Saqlain; Yongguang Luo; Jianmin Yu; Ashwani Kumar; Hongdan Wang; Lingling Wang; Viet Q. Bui; Min Gyu Kim; Young Dok Kim; Hyoyoung Lee
• Keywords: Oxygen evolution

Abstract The exact understanding for each promotional role of cation and anion vacancies in bifunctional water splitting activity will assist the development an efficient activation strategy inert catalysts. Herein, systematic first‐principles computations demonstrate that synergy anion–oxygen cation–manganese ( V O Mn ) manganese dioxide (MnO 2 nanosheets results abnormal local lattice distortion electronic modulation. Such alterations enrich accessible active centers, increase conductivity, enhance dissociation step, favor intermediate adsorption–desorption, consequently promoting HER OER kinetics. As proof concept, robust electrocatalysts, MnO ultrathin doped with dual (DV–MnO are obtained via a maturely chemical strategy. Detailed characterizations confirm vacancies‐ contribute to enhanced conductivity centers optimized configurations, consistent simulative predictions. expected, DV–MnO exhibits exceptional bifunctionality strong assistance synergetic which act as abundant “hot spots” multiple intermediates. Leading lower cell voltage (1.55 V) alkali electrolyte is required reach 10 mA cm −2 overall system. These atomic‐level insights on DV can activating from electrocatalysts.