Co-adsorption of O2 and H2O on α-uranium (110) surface: A density functional theory study*
Project supported by the National Nature Science Foundation of China (Grant Nos. 51401237, 11474358, and 51271198).
Qu Xin, Li Ru-Song †, He Bin, Wang Fei, Yuan Kai-Long
Plots of PDOS versus energy for (a) clean α-U(110) surface, (b) the most stable adsorption configuration of O2 after optimization, (c) adsorption of H2O molecule alone, (d) co-adsorption of H2O and O2 molecules in the pattern of preferential adsorption of O2 molecule.