我实验室可再生能源研究中心Marco Fronzi副教授开展实验室学术报告，请实验室师生积极参加。

       讲座人：Marco Fronzi

       时间：8月16日（周三）上午9:30     

       地点：北二楼11层会议室做一个Seminar，

       题目：DFT investigation of Cobalt Sulphide catalytic properties for hydrogen evolution reaction

       Abstract: I propose a comparative investigation of Co9S8 and Co3S4 , with a focus on the role of sulphur vacancies in water splitting and hydrogen evolution reaction. We apply Density Functional Theory (DFT) calculations to analyse analyse energy of water adsorption, hydroxyl group and hydrogen atom to understand the thermodynamics of water splitting in Hydrogen Evolution Reactions (HER). We compute electronic structure analysis in order to have an insight of the chemical bonds and investigate the relation between stoichiometry of Cobalt Sulphides and catalytic properties for HER.