1. Institute of New Energy Material Chemistry, Institute of Scientific Computing, Nankai University, Tianjin 300071, Peopleʼs Republic of China, Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, and Department of Chemistry, Institute for Functional Nanomaterials, University of Puerto Rico, Rio Piedras Campus, San Juan, Puerto Rico 00931