电化学催化剂可以降低反应的能垒，提高效率。寻找高效、稳定且易得的纳米催化剂成为近年来的热点和难点。本课题拟以金属有机框架化合物（MOFs）为前驱体来设计合成新型、高活性的碳基纳米电化学催化剂。拟通过控制MOFs前驱物的形貌和后续退火条件，来控制纳米催化剂的形貌（如空心、核壳、异质结等）；通过改变MOFs中金属离子（如过渡金属Co等）和有机配体的组成（含N、S、P等元素的有机配体）以及退火工艺来制备不同的碳基复合纳米催化剂（如类石墨烯与金属合金、硫化物、氮化物、磷化物、钙钛矿材料的复合，单原子掺杂碳材料等）。碳的复合能提高催化剂的导电性，活性位点配位环境的改变能调控其氢原子吸附自由能ΔGH*，藉此发现具有高本征催化活性的纳米电催化剂。通过X-射线吸收精细结构等表征和理论计算来揭示催化剂的高活性来源及催化反应机理，以指导催化剂的设计与合成。该项目的实施对制备新型、高效的电化学催化剂有重要意义。

This proposal is aimed at designning and preparing highly active and inexpensive carbon-based electrocatalysts for both OER and HER by annealing of metal−organic frameworks (MOFs). A facile and universal strategy for synthesizing nonprecious transition metals, binary alloys, and ternary alloys encapsulated in graphene layers via direct annealing of MOFs will be investigated. The presence of carbon such as graphene would lead to the improvement of conductivity of electrocatalysts,while the electronic structure viriation due to the changing of coodination enviroment of activie sites may help to increase its activity by decreasing its free energy ΔGH*. Detail characterizations based on X-ray adsorption near edge structure (XANES) and Density functional theory calculations will be used to reveal the electronic structures of catalysts and catalytic mechanism. The project would help to find novel highly active catalysts and understand the electrocatalytic mechanism.