Measuring and modelling mechanochemical reaction kinetics.
Journal
Chemical communications (Cambridge, England)
ISSN: 1364-548X
Titre abrégé: Chem Commun (Camb)
Pays: England
ID NLM: 9610838
Informations de publication
Date de publication:
14 Jul 2020
14 Jul 2020
Historique:
pubmed:
20
6
2020
medline:
20
6
2020
entrez:
20
6
2020
Statut:
ppublish
Résumé
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.
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM