title: Characteristic Contrast in Δfmin Maps of Organic Molecules Using Atomic Force Microscopy.
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.
authors: Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University , P.O. Box 80000, 3508 TA Utrecht, The Netherlands.
authors: Nadine J
authors: NJ
authors: van der Heijden
authors: Institute of Physics, Czech Academy of Sciences , Cukrovarnická 10, 1862 53 Prague, Czech Republic.
authors: Prokop
authors: P
authors: Hapala
authors: Department of Chemistry and Pharmaceutical Sciences, VU University Amsterdam , De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.
authors: Jeroen A
authors: JA
authors: Rombouts
authors: Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University , P.O. Box 80000, 3508 TA Utrecht, The Netherlands.
authors: Joost
authors: J
authors: van der Lit
authors: Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University , P.O. Box 80000, 3508 TA Utrecht, The Netherlands.
authors: Daniël
authors: D
authors: Smith
authors: Institute of Physics, Czech Academy of Sciences , Cukrovarnická 10, 1862 53 Prague, Czech Republic.
authors: Pingo
authors: P
authors: Mutombo
authors: Institute of Physics, Czech Academy of Sciences , Cukrovarnická 10, 1862 53 Prague, Czech Republic.
authors: Martin
authors: M
authors: Švec
authors: Institute of Physics, Czech Academy of Sciences , Cukrovarnická 10, 1862 53 Prague, Czech Republic.
authors: Pavel
authors: P
authors: Jelinek
authors: Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University , P.O. Box 80000, 3508 TA Utrecht, The Netherlands.
authors: Ingmar
authors: I
authors: Swart
keywords: AFM; CO tip; DFT; Xe tip; molecular mechanics; single molecule