‡ State Key Laboratory of Silicon Materials and Department of Materials Science and Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, People’s Republic of China § Department of Materials ...

Contribution from the CASPUR, Consortium for Supercomputing. Applications,Via dei Tizii 6b, 00185 Rome, Italy, Department of Chemistry, University of Rome “La Sapienza”, P.le Aldo Moro 5, 00185 Rome, ...