Characteristic Contrast in Δfmin Maps of Organic Molecules Using Atomic Force Microscopy

Nadine J van der Heijden, Prokop Hapala, Jeroen A Rombouts, Joost van der Lit, Daniël Smith, Pingo Mutombo, Martin Švec, Pavel Jelinek, Ingmar Swart

Research output: Contribution to journalArticleAcademicpeer-review

Abstract

Scanning tunneling microscopy and atomic force microscopy can provide detailed information about the geometric and electronic structure of molecules with submolecular spatial resolution. However, an essential capability to realize the full potential of these techniques for chemical applications is missing from the scanning probe toolbox: chemical recognition of organic molecules. Here, we show that maps of the minima of frequency shift-distance curves extracted from 3D data cubes contain characteristic contrast. A detailed theoretical analysis based on density functional theory and molecular mechanics shows that these features are characteristic for the investigated species. Structurally similar but chemically distinct molecules yield significantly different features. We find that the van der Waals and Pauli interaction, together with the specific adsorption geometry of a given molecule on the surface, accounts for the observed contrast.

Original languageEnglish
Pages (from-to)8517-8525
Number of pages9
JournalACS Nano
Volume10
Issue number9
DOIs
Publication statusPublished - 27 Sept 2016

Keywords

  • AFM
  • DFT
  • molecular mechanics
  • single molecule
  • CO tip
  • Xe tip

Fingerprint

Dive into the research topics of 'Characteristic Contrast in Δfmin Maps of Organic Molecules Using Atomic Force Microscopy'. Together they form a unique fingerprint.

Cite this