Research Interests

  • Our research focuses on the first principles calculations on electronic structure and excited carrier dynamics in different condensed matter systems.

  • Our goal is to understand the behavior of electrons in multiscale, including time, energy, real and momentum space.

Research Highlights

Superatom state and nearly free electron state of low dimentional materials

  • Electronic structure of C60
    Five/six-membered ring of 𝛑-bonds

  • Origin of superatom state and nearly free electron state
    The superatom state originates the image state of the graphene. The graphene can be rolled into a nanotube, forming a dipole moment which binds the electronic state.

  • Tunning of superatom state
    The energy of a superatom state is usually high and we can tune it by:

Principle of photocatalysis on TiO2 surface

Design of nano device based on single-molecule

Non-adiabatic molecular dynamics


年份 基金项目 项目主题
2010 中科院百人计划
2011 自然科学基金委青年基金 TiO2表面湿电子态及光化学反应理论研究
2013 自然科学基金委面上基金 表面吸附对氧化物异质结界面二维电子气的调控
2013 自然科学基金委优秀青年基金 凝聚态物理
2016 自然科学基金委重点国际合作项目 TiO2中的超快过程
2020 自然科学基金 非绝热分子动力学中从头算的含时 GW+BSE 方法的发展
2022 自然科学基金委杰出青年基金 凝聚态体系中的激发态动力学