1. School of Chemistry, Beihang University, Beijing 100191, China
2. School of Physics, Beihang University, Beijing 100191, China
3. College of Materials Science & Engineering, Beijing University of Technology, Beijing 100124, China
4. International Iberian Nanotechnology Laboratory (INL), Braga 4715-330, Portugal
5. Scientific Computing Department, STFC UKRI, Rutherford Appleton Laboratory, Didcot OX11 0QX, U.K.
6. School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, U.K.