Royal Society of Chemistry, Physical Chemistry Chemical Physics, 7(20), p. 4953-4961
DOI: 10.1039/c7cp08177d
Full text: Unavailable
We performed first-principles calculations within PBE and PBE+U approximations to study ZnO and ZnX bulk systems and ZnO/ZnX interfaces (X = S, Se or Te), to the better comprehension of charge transference through the interface.