First-Principle Study of H₂ Adsorption on LaFeO₃(110) Surface

Figure 1

Vertical view of all symmetrical adsorption sites: (a) Model I (b) Model II. ((A): O long bridge; (B): O short bridge; (C): O top; (D): O cave; (E): La top; (F): La bridge; (G): Fe top; (H): O top).

(a)

(b)