A multiple-scattering chtster method is employed to calculate the oxygen K-edge near-edge X-ray absorption fine structure of N20/Ir（110） and its monolayer. Two peaks and one weak resonance appear in both cases. The ...A multiple-scattering chtster method is employed to calculate the oxygen K-edge near-edge X-ray absorption fine structure of N20/Ir（110） and its monolayer. Two peaks and one weak resonance appear in both cases. The self- consistent field DV-Xa calculations of the peaks and resonance show that the physical origin of the pre-edge peak x is different from those of the main peak 1 and the other weak resonance al. This setup is intrinsic to the N20 monolayer, owing to the interaction between the neighbouring molecular chains in the monolayer and partly to the adsorbed atomic oxygen, according to both the theoretical and experimental data.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 10904134 and 10802083)
文摘A multiple-scattering chtster method is employed to calculate the oxygen K-edge near-edge X-ray absorption fine structure of N20/Ir（110） and its monolayer. Two peaks and one weak resonance appear in both cases. The self- consistent field DV-Xa calculations of the peaks and resonance show that the physical origin of the pre-edge peak x is different from those of the main peak 1 and the other weak resonance al. This setup is intrinsic to the N20 monolayer, owing to the interaction between the neighbouring molecular chains in the monolayer and partly to the adsorbed atomic oxygen, according to both the theoretical and experimental data.
