机译:TiFe表面氢吸附研究基于3-D过渡金属取代
Indian Inst Technol, Dept Energy Sci & Engn, Mumbai 400076, India;
Hokkaido Univ, Dept Chem, North 10, West 8, Sapporo, 0600810, Japan;
DFT; Hydrogen storage; 3-d metal substitution; TiFe surface; Bader charge transfer; DOS;