Field-induced structural control of COx molecules adsorbed on graphene

• Matsubara, Manaho

• OKADA, Susumu

Bibliographic Information

Other Title

• Field-induced structural control of CO<i>x</i> molecules adsorbed on graphene

Abstract

Using the density functional theory combined with both the van der Waals correction and the effective screening medium method, we investigate the energetics and electronic structures of CO and CO2 molecules adsorbed on graphene surfaces in the field-effect-transistor structure with respect to the external electric field by the excess electrons/holes. The binding energies of CO and CO2 molecules to graphene monotonically increase with increasing hole and electron concentrations. The increase occurs regardless of the molecular conformations to graphene and the counter electrode, indicating that the carrier injection substantially enhances the molecular adsorption on graphene. Injected carriers also modulate the stable molecular conformation, which is metastable in the absence of an electric field.

Journal

• Journal of Applied Physics

  Journal of Applied Physics 123 (17), 174302-, 2018-05

  American Institute of Physics

Keywords

• General Physics and Astronomy

Details

• CRID: 1050001202635499520
• NII Article ID: 120007133928
• NII Book ID: AA00693547
• DOI: 10.1063/1.5029510
• ISSN: 10897550
• ISSN: 00218979
• HANDLE: 2241/00153269
• Web Site: https://tsukuba.repo.nii.ac.jp/records/47889
• Web Site: https://pubs.aip.org/aip/jap/article-pdf/doi/10.1063/1.5029510/15211598/174302_1_online.pdf
• Text Lang: en
• Article Type: journal article
• Data Source:
  • IRDB
  • Crossref
  • CiNii Articles
  • KAKEN