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

表1 各SAC、DAC结构中TM—N键长、结合能

Table 1 The TM—N bond lengths and the binding energy of all the catalysts

Item FeN3 FeN4 CoN4 NiN4 Fe2N6 Co2N6 Ni2N6 TM—N/? 1.92 1.89 1.87 1.87 1.79/1.95 1.78/1.94 1.83/1.87 Eb/eV -4.91 -7.59 -7.42 -4.64 -14.41 -13.90 -12.89