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Intrinsic flexibility of porous materials; theory, modelling and the flexibility window of the EMT zeolite framework.

Abstract:

Framework materials have structures containing strongly bonded polyhedral groups of atoms connected through their vertices. Typically the energy cost for variations of the inter-polyhedral geometry is much less than the cost of distortions of the polyhedra themselves - as in the case of silicates, where the geometry of the SiO4 tetrahedral group is much more strongly constrained than the Si-O-Si bridging angle. As a result, framework materials frequently display intrinsic flexibility, and the...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1107/s2052520615018739

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
King Abdulaziz City for Science and Technology More from this funder
Royal Society More from this funder
Publisher:
International Union of Crystallographers Publisher's website
Journal:
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials Journal website
Volume:
71
Issue:
Pt 6
Pages:
641-647
Publication date:
2015-12-01
Acceptance date:
2015-10-06
DOI:
EISSN:
2052-5206
ISSN:
2052-5192
Language:
English
Keywords:
Pubs id:
pubs:580674
UUID:
uuid:cc4cfde5-edf3-452a-941f-405e8ae2290c
Local pid:
pubs:580674
Source identifiers:
580674
Deposit date:
2016-03-04

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