To improve rate and cycling performance of manganese oxide anode material,a precipitation method was combined with thermal annealing to prepare the Mn O/Mn3O4/Se Ox(x=0,2)hybrid anode by controlling the reaction tempe...To improve rate and cycling performance of manganese oxide anode material,a precipitation method was combined with thermal annealing to prepare the Mn O/Mn3O4/Se Ox(x=0,2)hybrid anode by controlling the reaction temperature of Mn2O3 and Se powders.At 3 A/g,the synthesized Mn O/Mn3O4/Se Ox anode delivers a discharge capacity of 1007 m A·h/g after 560 cycles.A cyclic voltammetry quantitative analysis reveals that 89.5%pseudocapacitive contribution is gained at a scanning rate of 2.0 m V/s,and the test results show that there is a significant synergistic effect between Mn O and Mn3O4 phases.展开更多
We explore the electronic and transport properties of zigzag graphene nanoribbons (GNRs) with nitrogen-vacancy defects by performing fully self-consistent spin-polarized density functional theory calculations combin...We explore the electronic and transport properties of zigzag graphene nanoribbons (GNRs) with nitrogen-vacancy defects by performing fully self-consistent spin-polarized density functional theory calculations combined with non-equilibrium Green's function technique. We observe robust negative di erential resistance (NDR) effect in all examined molecular junctions. Through analyzing the calculated electronic structures and the bias-dependent transmission coefficients, we find that the narrow density of states of electrodes and the bias-dependent effective coupling between the central molecular orbitals and the electrode subbands are responsible for the observed NDR phenomenon. In addition, the obvious di erence of the transmission spectra of two spin channels is observed in some bias ranges, which leads to the near perfect spin-filtering effect. These theoretical findings imply that GNRs with nitrogenvacancy defects hold great potential for building molecular devices.展开更多
基金Project(2018JJ2513)supported by the Natural Science Foundation of Hunan Province,ChinaProject(18A378)supported by the Education Bureau Research Foundation of Hunan Province,ChinaProject(2019GK4012)supported by the Emerging Strategic Industrial Science and Technology Project of Hunan Province,China。
文摘To improve rate and cycling performance of manganese oxide anode material,a precipitation method was combined with thermal annealing to prepare the Mn O/Mn3O4/Se Ox(x=0,2)hybrid anode by controlling the reaction temperature of Mn2O3 and Se powders.At 3 A/g,the synthesized Mn O/Mn3O4/Se Ox anode delivers a discharge capacity of 1007 m A·h/g after 560 cycles.A cyclic voltammetry quantitative analysis reveals that 89.5%pseudocapacitive contribution is gained at a scanning rate of 2.0 m V/s,and the test results show that there is a significant synergistic effect between Mn O and Mn3O4 phases.
基金This work was partially supported by the National Natural Science Foundation of China (No.20903003 and No.21273208), the Anhui Provincial Natural Science Foundation (No.1408085QB26), the China Postdoctoral Science Foundation (No.2012M511409), the Supercomputer Center of Chinese Academy of Sciences, and University of Science and Technology of China and Shanghai Supercomputer Centers.
文摘We explore the electronic and transport properties of zigzag graphene nanoribbons (GNRs) with nitrogen-vacancy defects by performing fully self-consistent spin-polarized density functional theory calculations combined with non-equilibrium Green's function technique. We observe robust negative di erential resistance (NDR) effect in all examined molecular junctions. Through analyzing the calculated electronic structures and the bias-dependent transmission coefficients, we find that the narrow density of states of electrodes and the bias-dependent effective coupling between the central molecular orbitals and the electrode subbands are responsible for the observed NDR phenomenon. In addition, the obvious di erence of the transmission spectra of two spin channels is observed in some bias ranges, which leads to the near perfect spin-filtering effect. These theoretical findings imply that GNRs with nitrogenvacancy defects hold great potential for building molecular devices.