Donor/Acceptor Properties of Aromatic Molecules in Complex Metal-Molecule Interfaces

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

12 Scopus Citations
View graph of relations

Author(s)

  • Yan-Ling Zhao
  • Weihua Wang
  • Fei Qi
  • Jian-Fu Li
  • Guowen Kuang
  • Nian Lin
  • Michel A. Van Hove

Detail(s)

Original languageEnglish
Pages (from-to)451-458
Journal / PublicationLangmuir
Volume33
Issue number2
Online published28 Dec 2016
Publication statusPublished - 17 Jan 2017

Abstract

We present a comparative study, combining density functional theory with scanning tunneling microscopy/spectroscopy, of two aromatic molecules bonded with a variable number of Cu adatom(s) on a Cu(111) surface. The two molecules, 1,3,5-tris(pyridyl)benzene (TPyB) and 1,3,5-tris(4-radical-phenyl)benzene (TPB), possess the same aromatic backbone but bond weakly versus strongly to Cu with different terminal groups, respectively. We find that TPyB and TPB exhibit, respectively, small versus large charge transfers between the surface and the molecule; this contrast results in opposite shifts in the calculated density of states distributions and thus explains the opposite STS peak shifts observed in Our experiments. The two molecules exhibit weak donor versus strong acceptor characters. This work provides a fundamental understanding, on a single-molecule level, of the principle that selecting specific functional groups can effectively and intentionally modify the molecular electronic properties in a wider class of molecule-metal interfaces.

Research Area(s)

  • SILICON SURFACE, NETWORKS, POLYMERIZATION, SIESTA

Citation Format(s)

Donor/Acceptor Properties of Aromatic Molecules in Complex Metal-Molecule Interfaces. / Zhao, Yan-Ling; Wang, Weihua; Qi, Fei et al.
In: Langmuir, Vol. 33, No. 2, 17.01.2017, p. 451-458.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review