• 文献标题:   Can inorganic salts tune electronic properties of graphene quantum dots?
  • 文献类型:   Article
  • 作  者:   COLHERINHAS G, FILETI EE, CHABAN VV
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Univ Fed Goias
  • 被引频次:   16
  • DOI:   10.1039/c5cp02083b
  • 出版年:   2015

▎ 摘  要

Electronic properties of graphene quantum dots (GQDs) constitute a subject of intense scientific interest. Being smaller than 20 nm, GQDs contain confined excitons in all dimensions simultaneously. GQDs feature a non-zero band gap and luminescence on excitation. Tuning their electronic structure is an attractive goal with technological promise. In this work, we apply density functional theory to study the effect of neutral ionic clusters adsorbed on the GQD surface. We conclude that both the HOMO and the LUMO of GQDs are very sensitive to the presence of ions and to their distance from the GQD surface. However, the alteration of the band gap itself is modest, as opposed to the case of free ions (recent reports). Our work fosters progress in modulating electronic properties of nanoscale carbonaceous materials.