Journal
ACS NANO
Volume 16, Issue 11, Pages 18592-18600Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsnano.2c07081
Keywords
single molecule; electron stimulated debromination; surface physics; scanning tunneling microscopy; density functional theory
Categories
Funding
- National Science Foundation of China [21961142021, 11774395, 11727902, 91753136]
- Strategic Priority Research Program (B) of the Chinese Academy of Sciences [XDB30201000]
- Beijing Natural Science Foundation [4181003]
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This article discusses the debromination of a single DBA molecule on a surface using voltage pulses from a scanning tunneling microscope tip. The study reveals the nature of the single-electron process, the effects of pulse magnitude and tip location on debromination yield, and the different dynamics of dissociation for the two C-Br bonds. The research provides guidance for automated atomic engineering and fabrication of artificial nanostructures in the future.
A controlled chemical reaction on a specific bond in a single molecule is an inevitable step toward atomic engineering and fabrication. Here, we explored the debromination of a single 9,10-dibromoanthracene (DBA) molecule on a surface as stimulated by the voltage pulse through the tip of a scanning tunneling microscope (STM). A voltage threshold of about 2.2 V is obtained, and the nature of single-electron process is revealed. The spatially resolved debromination yield is obtained as a function of the pulse magnitude, which presents strong asymmetry for the two C-Br bonds. The optimal stimulation parameters including the pulse magnitude and the tip locations are suggested. The distinct dynamics in dissociation of the two bonds are illustrated by their energy diagrams and recoil paths, as derived by the first-principles density functional theory (DFT) calculation. The influence of the local electric field due to the STM tip on the dissociation of the C-Br bond has also been discussed. The study presents detailed practice for the controlled debromination in a single DBA molecule, which may lead to automated atomic engineering and fabrication of artificial nanostructures in the future.
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