Electronic and magnetic properties of semihydrogenated, fully hydrogenated monolayer and bilayer MoN2 sheets Project supported by the National Natural Science Foundation of China (Grant Nos. 11747168, 11604246, and 11704007), the Natural Science Foundation of Guizhou Provincial Education Department, China (Grant Nos. KY[2015]384, KY[2015]446, and KY[2017]053), the Natural Science Foundation of Guizhou Provincial Science and Technology Agency (Grant Nos. LH[2015]7232 and LH[2015]7228), and the Science Research Foundation of Tongren University, China (Grant No. trxyDH1529). |
(color online) (a) Fully hydrogenated monolayer MoN2 (2 × 2 supercell). (b) Semi-hydrogenated monolayer MoN2 (2 × 2 supercell). Mo, N, and H atoms are marked in blue, red and green, respectively. |