| Literature DB >> 32558870 |
Alejandro Boscoboinik1, Dustin Olson1, Heather Adams1, Nicholas Hopper1, Wilfred T Tysoe1.
Abstract
Quasi-static density functional theory calculations of the rate of mechanochemical decomposition of methyl thiolate species adsorbed on Cu(100) accurately reproduce the experimental normal-stress dependent rates measured in ultrahigh vacuum by an atomic force microscopy tip. This allows precise analytical models for mechanochemical reaction kinetics to be developed.Entities:
Year: 2020 PMID： 32558870 DOI： 10.1039/d0cc02992k
Source DB: PubMed Journal: Chem Commun (Camb) ISSN： 1359-7345 Impact factor: 6.222