1. 电化学储能体系：1).Li/S电池体系; 2). 基于C/MOx杂化材料的超级电容器体系 Electrochemical Energy Storage: 1). Developing cathod assembly technologies for Li/S batteries; 2). Developing C/MOx hybride functionals for purpose of supercapacitors. 2. 表面与催化化学： 1). 表面物理化学过程; 2). 均相与多相催化剂及催化行为 Surface Chemistry: 1). Developing designed physicochemical properties and processes for surfaces ; 2). Developing homogeneous/heterogeneous catalysts and investigating their catalytic behaviours. 3. 分子模拟：1). 基于第一性原理的分子模拟与设计；2). 经典分子动力学模拟。 Molecular Modeling: 1). Using the state-of-the-art first-principles simulation to guide the experiments of the above projects; 2). Classic large-scale molecular dynamics .