There is an ideal desire to develop the high-performance anodes materials for Liion batteries(LIBs),which requires not onlyhigh stability and reversibility,but also rapidcharging/discharging rate.In this work,webuilta...There is an ideal desire to develop the high-performance anodes materials for Liion batteries(LIBs),which requires not onlyhigh stability and reversibility,but also rapidcharging/discharging rate.In this work,webuiltablue phosphorene-graphene(BlueP-G)intralayer heterostructure by connecting BlueP and graphene monolayers at zigzag edges with covalent bonds.Based on the density functional theory simulation,the electronic structure of the heterostructure,Li adsorption and Li diffusion on heterostructure were systematically investigated.Compared with the pristine BlueP,the existence of graphene layer increases the overall conductivity of BlueP-G intralayer heterostructure.The significantly enhanced adsorption energy indicates the Li deposition on anode surface is energetically favored.The fast diffusion of Li with energy barrier as low as 0.02-0.09 eV indicates the growth of Li dendrite could be suppressed and the stability and reversibility of the battery will be increased.With a combination of increased conductivity of electronic charge,excellent Li adsorption and Li mobility on surface,BlueP-G intralayer heterostructure with zigzag interface is quite promising in the application of anode material for Li-ion batteries.展开更多
Photocatalytic reduction of CO2 into value-added products is a promising strategy for mitigating environmental and energy problems simultaneously.Herein,we developed Au sheets with subtle grain boundaries on ultrathin...Photocatalytic reduction of CO2 into value-added products is a promising strategy for mitigating environmental and energy problems simultaneously.Herein,we developed Au sheets with subtle grain boundaries on ultrathin Ni(OH)2 nanosheets as efficient photocatalysts for CO2 reduction.According to mechanistic studies,grain boundaries on the Au sheets served as electron trapping sites which enabled the optimization of electron-hole separation.Moreover,grain boundaries perturbed electron distribution,which assisted in stabilizing CO2^δ- and HCOO^* intermediates.As a result,the unique hybrid structure achieved a high rate of 75.2μmol g^-1h^-1 for CO2 photoreduction.This work demonstrates the importance of defect engineering in designing active photocatalysts and also provides insight into development of related photo-energy conversion schemes.展开更多
基金supported by the National Natural Science Foundation of China(No.21825302,No.21903076)the Taishan Scholar Program of Shandong Province of China(tsqn201909122)。
基金This work was supported by the National Natural Science Foundation of China(No.21825302 and No.21903076)the Taishan Scholar Program of Shandong Province of China(tsqn201909122)We also thank Supercomputing Center of USTC(USTC-SCC),Supercomputing Center of the Chinese Academy of Sciences(SCCAS),Tianjin Supercomputer Center,Guangzhou Supercomputer Center,and the Shanghai Supercomputer Center.
文摘There is an ideal desire to develop the high-performance anodes materials for Liion batteries(LIBs),which requires not onlyhigh stability and reversibility,but also rapidcharging/discharging rate.In this work,webuiltablue phosphorene-graphene(BlueP-G)intralayer heterostructure by connecting BlueP and graphene monolayers at zigzag edges with covalent bonds.Based on the density functional theory simulation,the electronic structure of the heterostructure,Li adsorption and Li diffusion on heterostructure were systematically investigated.Compared with the pristine BlueP,the existence of graphene layer increases the overall conductivity of BlueP-G intralayer heterostructure.The significantly enhanced adsorption energy indicates the Li deposition on anode surface is energetically favored.The fast diffusion of Li with energy barrier as low as 0.02-0.09 eV indicates the growth of Li dendrite could be suppressed and the stability and reversibility of the battery will be increased.With a combination of increased conductivity of electronic charge,excellent Li adsorption and Li mobility on surface,BlueP-G intralayer heterostructure with zigzag interface is quite promising in the application of anode material for Li-ion batteries.
基金This work was supported by the National Science Fund for Distinguished Young Scholars(21925204)the National Natural Science Foundation of China(U19A2015,21673214,U1732272)+5 种基金the National Key Research and Development Program of China(2019YFA-0405600)the Key Research Program of Frontier Sciences of the CAS(QYZDB-SSW-SLH017)the Fundamental Research Funds for the Central Universities,the USTC Research Funds of the Double First-Class Initiative(YD2340002002)the Taishan Scholar Program of Shandong Province of China(tsqn201909122)the China Postdoctoral Science Foundation(2019TQ0300)This work was partially carried out at the USTC Center for Micro and Nanoscale Research and Fabrication.
文摘Photocatalytic reduction of CO2 into value-added products is a promising strategy for mitigating environmental and energy problems simultaneously.Herein,we developed Au sheets with subtle grain boundaries on ultrathin Ni(OH)2 nanosheets as efficient photocatalysts for CO2 reduction.According to mechanistic studies,grain boundaries on the Au sheets served as electron trapping sites which enabled the optimization of electron-hole separation.Moreover,grain boundaries perturbed electron distribution,which assisted in stabilizing CO2^δ- and HCOO^* intermediates.As a result,the unique hybrid structure achieved a high rate of 75.2μmol g^-1h^-1 for CO2 photoreduction.This work demonstrates the importance of defect engineering in designing active photocatalysts and also provides insight into development of related photo-energy conversion schemes.
