1. Beijing Key Laboratory for Theory and Technology of Advanced Battery Materials Key Laboratory of Polymer Chemistry and Physics of Ministry of Education School of Materials Science and Engineering Peking University Beijing 100871 P. R. China
2. Materials Simulation and Modelling Department of Applied Physics Eindhoven University of Technology Eindhoven 5600 MB The Netherlands
3. Center for Computational Energy Research Department of Applied Physics Eindhoven University of Technology P.O. Box 513 Eindhoven 5600 MB The Netherlands
4. Institute of Chemistry Chinese Academy of Sciences Beijing 100190 China
5. School of Materials Science and Engineering Beijing Institute of Technology Beijing 100081 P. R. China