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Issue 56, 2020

Measuring and modelling mechanochemical reaction kinetics

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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.

Graphical abstract: Measuring and modelling mechanochemical reaction kinetics

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Article information


Submitted
05 May 2020
Accepted
15 Jun 2020
First published
19 Jun 2020

Chem. Commun., 2020,56, 7730-7733
Article type
Communication
Author version available

Measuring and modelling mechanochemical reaction kinetics

A. Boscoboinik, D. Olson, H. Adams, N. Hopper and W. T. Tysoe, Chem. Commun., 2020, 56, 7730 DOI: 10.1039/D0CC02992K

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