The electrode material is regarded as one of the key factors that determine the performance of lithium-ion batteries(LIBs).However,it is still a challenge to search for an anode material with large capacity,low diffus...The electrode material is regarded as one of the key factors that determine the performance of lithium-ion batteries(LIBs).However,it is still a challenge to search for an anode material with large capacity,low diffusion barrier,and good stability.In the present work,two new CrP_(2) monolayers(Pmmn-CrP_(2) and Pmma-CrP_(2)) are predicted by means of first principles swarm structure search.Our study shows that both the two CrP_(2) monolayers have high dynamical and thermal stability,as well as excellent electron conductivity.Additionally,Pmmn-CrP_(2) exhibits a remarkably high storage capacity of 705 mA·h·g^(-1) for Li,meanwhile the diffusion energy barrier of Li on the surface of this monolayer is 0.21 eV,ensuring it as a high-performance anode material for LIBs.We hope that our study will inspire researchers to search for new-type two-dimensional(2D) transition metal phosphides for the electrode materials of LIB s.展开更多
Hole-net structure silicon is fabricated by laser irradiation and annealing, on which a photoluminescence （PL） band in a the region of 650-750 nm is pinned and its intensity increases obviously after oxidation. It i...Hole-net structure silicon is fabricated by laser irradiation and annealing, on which a photoluminescence （PL） band in a the region of 650-750 nm is pinned and its intensity increases obviously after oxidation. It is found that the PL intensity changes with both laser irradiation time and annealing time. Calculations show that some localized states appear in the band gap of the smaller nanocrystal when Silo bonds or Si-O-Si bonds are passivated on the surface. It is discovered that the density and the number of Si=O bonds or Si-O-Si bonds related to both the irradiation time and the annealing time obviously affect the generation of the localized gap states of hole-net silicon, by which the production of stimulated emission through controlling oxidation time can be explained.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant No.11964006)the Science and Technology Foundation of Kaili University(Grant No.2022ZD06)the Specialized Research Fund for the Doctoral Program of Kaili University(Grant Nos.BS201601 and BS201702)。
文摘The electrode material is regarded as one of the key factors that determine the performance of lithium-ion batteries(LIBs).However,it is still a challenge to search for an anode material with large capacity,low diffusion barrier,and good stability.In the present work,two new CrP_(2) monolayers(Pmmn-CrP_(2) and Pmma-CrP_(2)) are predicted by means of first principles swarm structure search.Our study shows that both the two CrP_(2) monolayers have high dynamical and thermal stability,as well as excellent electron conductivity.Additionally,Pmmn-CrP_(2) exhibits a remarkably high storage capacity of 705 mA·h·g^(-1) for Li,meanwhile the diffusion energy barrier of Li on the surface of this monolayer is 0.21 eV,ensuring it as a high-performance anode material for LIBs.We hope that our study will inspire researchers to search for new-type two-dimensional(2D) transition metal phosphides for the electrode materials of LIB s.
基金Project supported by the National Natural Science Foundation of China (Grant No 10764002)
文摘Hole-net structure silicon is fabricated by laser irradiation and annealing, on which a photoluminescence （PL） band in a the region of 650-750 nm is pinned and its intensity increases obviously after oxidation. It is found that the PL intensity changes with both laser irradiation time and annealing time. Calculations show that some localized states appear in the band gap of the smaller nanocrystal when Silo bonds or Si-O-Si bonds are passivated on the surface. It is discovered that the density and the number of Si=O bonds or Si-O-Si bonds related to both the irradiation time and the annealing time obviously affect the generation of the localized gap states of hole-net silicon, by which the production of stimulated emission through controlling oxidation time can be explained.
