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Identifying the role of terahertz vibrations in metal-organic frameworks: from gate-opening phenomenon to shear-driven structural destabilization.

Abstract:

We present an unambiguous identification of low-frequency terahertz vibrations in the archetypal imidazole-based metal-organic framework (MOF) materials: ZIF-4, ZIF-7, and ZIF-8, all of which adopt a zeolite-like nanoporous structure. Using inelastic neutron scattering and synchrotron radiation far-infrared absorption spectroscopy, in conjunction with density functional theory (DFT), we have pinpointed all major sources of vibrational modes.Ab initioDFT calculations revealed the complex natur...

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Publication status:
Published
Peer review status:
Peer reviewed

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Institution:
University of Oxford
Division:
MPLS
Department:
Engineering Science
Role:
Author
More from this funder
Name:
Partnership for Advanced Computing in Europe
Grant:
2013081680
More from this funder
Name:
Science and Technology Facilities Council
Grant:
13–05
More from this funder
Name:
Alexander von Humboldt Foundation
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Name:
Trinity Hall (University of Cambridge)
More from this funder
Name:
Engineering and Physical Sciences Research Council
Publisher:
American Physical Society
Journal:
Physical Review Letters More from this journal
Volume:
113
Issue:
21
Pages:
215502
Publication date:
2014-11-20
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
Language:
English
Pubs id:
pubs:493450
UUID:
uuid:a88c5a08-fb8e-498c-a483-a653e21c3ee2
Local pid:
pubs:493450
Source identifiers:
493450
Deposit date:
2016-03-05

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