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
Murdochite-type Ni6MnO8 three-dimensional mesoporous nanosheet arrays grown on carbon cloth （NMO-SA/CC） are synthesized using an in-situ growth strategy. As self-supported binder-free anodes for LIBs, the NMO-SA/CC ...Murdochite-type Ni6MnO8 three-dimensional mesoporous nanosheet arrays grown on carbon cloth （NMO-SA/CC） are synthesized using an in-situ growth strategy. As self-supported binder-free anodes for LIBs, the NMO-SA/CC hierarchical nanostructures exhibit ultrahigh capacity, excellent cycling stability, and good rate capability. The excellent lithium storage performance can be ascribed to the perfect electrical contact between NMO-SA and CC. The mesopores in the thin nanosheet can maximize the electrode contact with the electrolyte by decreasing the Li＋ diffusion path. Moreover, these effects relieve the pulverization and agglomeration that originate from the large volume variations during the Li＋ intercalation/deintercalation cycles. The in-situ X-ray absorption fine structure （XAFS） spectrum recorded during the initial lithiation/delithiation processes reveals the conversion reaction process.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.
基金Acknowledgements We gratefully acknowledge the support of this research by the National Natural Science Foundation of China （Nos. 21371053, 21376065, 21401048, and 21571054）, the Postdoctoral Science Foundation of Heilongjiang Province （No. LBH-TZ0519）, Harbin Science and Technology Innovation Talents Research Foundation （No. 2015RAQXJ057）, Innovative Research Project of Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education.
文摘Murdochite-type Ni6MnO8 three-dimensional mesoporous nanosheet arrays grown on carbon cloth （NMO-SA/CC） are synthesized using an in-situ growth strategy. As self-supported binder-free anodes for LIBs, the NMO-SA/CC hierarchical nanostructures exhibit ultrahigh capacity, excellent cycling stability, and good rate capability. The excellent lithium storage performance can be ascribed to the perfect electrical contact between NMO-SA and CC. The mesopores in the thin nanosheet can maximize the electrode contact with the electrolyte by decreasing the Li＋ diffusion path. Moreover, these effects relieve the pulverization and agglomeration that originate from the large volume variations during the Li＋ intercalation/deintercalation cycles. The in-situ X-ray absorption fine structure （XAFS） spectrum recorded during the initial lithiation/delithiation processes reveals the conversion reaction process.
