To design the high-energy-density Li-ion batteries, the anode materials with high specific capacity haveattracted much attention. In this work, we adopt the first principles calculations to investigate the pos-sibilit...To design the high-energy-density Li-ion batteries, the anode materials with high specific capacity haveattracted much attention. In this work, we adopt the first principles calculations to investigate the pos-sibility of a new two dimensional boron material, named Be, as anode material for Li-ion batteries. Thecalculated results show that the maximum theoretical specific capacity of Bc is 1653mAh g-1 （LiBl.s）.Additionally, the energy barriers of Li ion and Li vacancy diffusion are 330 meV and 110 meV, respec-tively, which imply fast charge and discharge ability for B6 as an anode material. The theoretical findingsreported in this work suggest that BG is a potential candidate as anode material of high-energy-density Li-ion batteries.展开更多
Ca12Al14032F2.＇Eu3＋ red phosphors were prepared by the sol-gel method with CF3COOH as the fluorine source. X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectra, and photoluminescence spec...Ca12Al14032F2.＇Eu3＋ red phosphors were prepared by the sol-gel method with CF3COOH as the fluorine source. X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectra, and photoluminescence spectra, as well as thermogravimetric and differential thermal analysis were utilized to characterize the samples. All the samples were single phase with a cubic structure. The as-obtained Ca12Al14Oa2F2：Eu3＋ red phosphors consisted of nanoparticles with sizes of approximately 40-100 nm. Under the excitation of UV light, CalEA114032F2：Eu3＋ exhibited the characteristic emissions of Eu3＋, and the effect of annealing temperature, an- nealing time, and CF3COOH and Eu3＋ concentrations on the luminescence intensity were discussed in detail.展开更多
基金financially supported by the New Energy Project for Electric Vehicle of National Key Research and Development Program (2016YFB0100200)the National Natural Science Foundation of China (51671004,U1764255)+1 种基金National Postdoctoral Program for Innovative Talents (BX201700001)supported by High-performance Computing Platform of Peking University
文摘To design the high-energy-density Li-ion batteries, the anode materials with high specific capacity haveattracted much attention. In this work, we adopt the first principles calculations to investigate the pos-sibility of a new two dimensional boron material, named Be, as anode material for Li-ion batteries. Thecalculated results show that the maximum theoretical specific capacity of Bc is 1653mAh g-1 （LiBl.s）.Additionally, the energy barriers of Li ion and Li vacancy diffusion are 330 meV and 110 meV, respec-tively, which imply fast charge and discharge ability for B6 as an anode material. The theoretical findingsreported in this work suggest that BG is a potential candidate as anode material of high-energy-density Li-ion batteries.
基金supported by the National Natural Science Foundation of China(21161004)the Natural Science Foundation of Guangxi Province(2011GXNSFA018048)
文摘Ca12Al14032F2.＇Eu3＋ red phosphors were prepared by the sol-gel method with CF3COOH as the fluorine source. X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectra, and photoluminescence spectra, as well as thermogravimetric and differential thermal analysis were utilized to characterize the samples. All the samples were single phase with a cubic structure. The as-obtained Ca12Al14Oa2F2：Eu3＋ red phosphors consisted of nanoparticles with sizes of approximately 40-100 nm. Under the excitation of UV light, CalEA114032F2：Eu3＋ exhibited the characteristic emissions of Eu3＋, and the effect of annealing temperature, an- nealing time, and CF3COOH and Eu3＋ concentrations on the luminescence intensity were discussed in detail.
