Electronic states in heavily Li-doped graphite nanoclusters
作者: M. YagiR. SaitoT. KimuraG. DresselhausM. S. Dresselhaus
作者单位: 1Department of Electronics Engineering , University of Electro-Communication , Chofu , 182–8585 Tokyo , Japan
2 Francis Bitter Magnet Laboratory , Massachusetts Institute of Technology , Cambridge , Massachusetts 02139
3 Department of Electrical Engineering and Computer Science and Department of Physics , Massachusetts Institute of Technology , Cambridge , Massachusetts 02139
刊名: Journal of Materials Research, 1999, Vol.14 (9), pp.3799-3804
来源数据库: Cambridge University Press Journal
DOI: 10.1557/JMR.1999.0514
原始语种摘要: Negative ion states for Li atoms are found in graphite nanoclusters heavily doped with lithium using a semiempirical calculational method. These calculations identify a quasi-stable site for a negative Li ion near the terminated hydrogen atoms, and this site becomes very stable in the presence of the Coulomb interaction between Li ions. The total charge transfer from Li ions to the graphite clusters does not depend on the number of Li atoms per cluster but rather on the relative geometries of the Li atoms on the cluster. The relationship of these findings to the findings in the 7Li nuclear magnetic resonance experiments and to the performance of Li secondary batteries is discussed.
全文获取路径: Cambridge U Press 
影响因子:1.713 (2012)

  • graphite 石墨
  • heavily 
  • doped 掺杂(了)的掺了添加剂的
  • lithium 
  • charge 电荷
  • stable 稳定的
  • cluster 
  • terminated 终接的
  • semiempirical 半经验的
  • secondary 二次的