1. Renewable Energy Conversion and Storage Center (RECAST) Haihe Laboratory of Sustainable Chemical Transformations Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) College of Chemistry Nankai University Tianjin 300071 P. R. China
2. National Supercomputer Center in Tianjin Tianjin 300457 P. R. China
3. Hefei National Laboratory for Physical Sciences at the Microscale CAS Key Laboratory of Materials for Energy Conversion Department of Applied Chemistry University of Science and Technology of China Hefei 230026 P. R. China