Theoretical study on structural properties and mechanism of nitrogen reduction of monatomic Sc and Mo doped Li defect LiH

Yang, ZF; Huang, ZL; Zhao, SF; Meng, Y; Xie, B; Ni, ZM; Xia, SJ

Xia, SJ (通讯作者),Zhejiang Univ Technol, Dept Chem, Coll Chem Engn, 18 Chaowang Rd, Hangzhou 310014, Peoples R China.

CHEMICAL PHYSICS LETTERS, 2022; 803 ():