• 文献标题:   Optical and electronic properties of graphene nanoribbons upon adsorption of ligand-protected aluminum clusters
  • 文献类型:   Article
  • 作  者:   DA ROCHA CG, CLAYBORNE PA, KOSKINEN P, HAKKINEN H
  • 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 Jyvaskyla
  • 被引频次:   12
  • DOI:   10.1039/c3cp53780c
  • 出版年:   2014

▎ 摘  要

We have carried out first-principles calculations to investigate how the electronic and optical features of graphene nanoribbons are affected by the presence of atomic clusters. Aluminum clusters of different sizes and stabilized by organic ligands were deposited on graphene nanoribbons from which the energetic features of the adsorption plus electronic structure were treated within density-functional theory. Our results point out that, depending on their size and structure shape, the clusters perturb distinctively the electronic properties of the ribbons. We suggest that such selective response can be measured through optical means revealing that graphene nanoribbons can work as an efficient characterization medium of atomic clusters. In addition, we demonstrate that atomic clusters can finetune the electronic and spin-polarized states of graphene ribbons from which novel spin-filter devices could be designed.