析氢反应中氮掺杂石墨烯负载金属单/双原子催化活性起源

张诗诗, 秦棪阳, 苏亚琼

Activity origin of single/double-atom catalyst for hydrogen evolution reaction

Shishi ZHANG, Yanyang QIN, Yaqiong SU

图5 CoN4吸附H后(a)电荷密度差分图，棕色、蓝色、红色、绿色小球分别代表C、N、Co、H原子，黄色和蓝色阴影分别代表电荷聚集和电荷消耗；(b) Co的3d轨道以及被吸附*H的1s轨道的态密度图

Fig. 5 (a) The differential charge density maps where the brown, blue, red, green balls denote the C, N, Co, H atoms, respectively; (b) The projected density of state (PDOS) projected on 3d orbitals of Co atom and the 1s orbital of adsorbed H of CoN4-H