Quantifying Force and Energy in Single-Molecule Metalation

J Am Chem Soc. 2022 Apr 27;144(16):7054-7057. doi: 10.1021/jacs.2c00900. Epub 2022 Mar 24.

Abstract

An atomic force microscope is used to determine the attractive interaction at the verge of adding a Ag atom from the probe to a single free-base phthalocyanine molecule adsorbed on Ag(111). The experimentally extracted energy for the spontaneous atom transfer can be compared to the energy profile determined by density functional theory using the nudged-elastic-band method at a defined probe-sample distance.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Microscopy*
  • Nanotechnology*
  • Physical Phenomena