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Issue 39, 2014
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Acoustic phonons and negative thermal expansion in MOF-5

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Abstract

The mechanism of negative thermal expansion (NTE) in MOF-5 has been studied using a rigid unit mode analysis of the phonons responsible for NTE. In addition to confirming the role of the previously proposed optic ‘trampoline mode’ mechanism [Lock et al., Dalton Trans., 2013, 42, 1933–2320], we have identified a new acoustic mode mechanism that makes a major contribution to the macroscopic NTE of this framework.

Graphical abstract: Acoustic phonons and negative thermal expansion in MOF-5

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Article information


Submitted
18 Apr 2014
Accepted
29 Jul 2014
First published
01 Aug 2014

Phys. Chem. Chem. Phys., 2014,16, 21144-21152
Article type
Paper
Author version available

Acoustic phonons and negative thermal expansion in MOF-5

L. H. N. Rimmer, M. T. Dove, A. L. Goodwin and D. C. Palmer, Phys. Chem. Chem. Phys., 2014, 16, 21144
DOI: 10.1039/C4CP01701C

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