过渡金属硫族化合物双功能电催化剂的构筑及氧析出和氢析出反应构效关系研究

Transition metal chalcogenide will be synthesized as a potential bifunctional electrocatalysts for water splitting under alkaline conditions in this project. Structure-property relationship of transition metal chalcogenide in oxygen evolution reaction and hydrogen evolution reaction will be explored. In this project, surface engineering is adopted to control the morphology and structure of the catalysts, thus, the effect of electronic structure, crystal structure, surface structure, interface structure and electronic transmission of catalyst on catalytic activity is investigated. And catalytic mechanism for oxygen evolution reaction and hydrogen evolution reaction is clarified. The resultant materials can act as bifunctional electrocatalytic electrodes for water splitting to optimizing the technological parameter of separation of H2 and O2, exploring the coordination of anodic and cathodic reaction and maintaining the stability of the system. Therefore, these bifunctional electrocatalysts have significant potential for realistic large-scale production of hydrogen and oxygen.

本项目以双功能电催化剂为研究对象，用于碱性介质电解水，设计和开发双功能过渡金属硫族化合物电催化剂MaNXb和A-MaNXb纳米材料（M, N= Fe、Ni、Co等；X = Se, Te；A= W, Mo, Ti, Ta, Zr, Nb 等），探索过渡金属硫族化合物与催化活性之间的构效关系。本项目采用表面工程调控催化剂的形貌和结构，从电子结构、晶体结构、表面结构、界面结构以及电子传输等角度揭示催化剂催化氧析出和氢析出反应的机制。将制备的双功能催化剂应用于实际的电解水体系，优化分离H2和O2的方法工艺，探索协调阳极反应和阴极反应的电解工艺和参数，保持体系的稳定性。这些研究内容都将为双功能电催化剂的大规模商业化应用提供理论和实验基础，加快电解水商业化进程。