Elucidating the mechanism responsible for anomalous thermal expansion in a metal–organic framework
Author:
Affiliation:
1. Department of Chemistry and Polymer Science
2. Stellenbosch University
3. South Africa
Abstract
A mechanistic model is developed to reproduce concerted changes in the internal coordinates of the coordination helix of a MOF and evaluated using DFT.
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/DT/C5DT01927C
Reference45 articles.
1. Chemical and steric constraints in inorganic solids
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3. Negative thermal expansion: a review
4. Giant negative thermal expansion in Ge-doped anti-perovskite manganese nitrides
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