- Abstract:
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We use a combination of x-ray diffraction, total scattering, and quantum mechanical calculations to determine the mechanism responsible for hydration-driven contraction in ZrW2O8. The inclusion of H2O molecules within the ZrW2O8 network drives the concerted formation of new W─O bonds to give onedimensional ð─W─O─Þn strings. The topology of the ZrW2O8 network is such that there is no unique choice for the string trajectories: the same local changes in coordination can propagate with a large nu...
Expand abstract - Publication status:
- Published
- Peer review status:
- Peer reviewed
- Version:
- Accepted Manuscript
- Files:
-
-
(pdf, 1.3MB)
-
- Publisher copy:
- 10.1103/PhysRevLett.120.265501
-
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- Publisher:
- American Physical Society Publisher's website
- Journal:
- Physical Review Letters Journal website
- Volume:
- 120
- Issue:
- 26
- Pages:
- Article: 265501
- Publication date:
- 2018-06-29
- Acceptance date:
- 2018-06-07
- DOI:
- EISSN:
-
1079-7114
- ISSN:
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0031-9007
- Pubs id:
-
pubs:884848
- URN:
-
uri:d2d7e836-4054-43d4-8284-18a62591a36b
- UUID:
-
uuid:d2d7e836-4054-43d4-8284-18a62591a36b
- Local pid:
- pubs:884848
- Copyright holder:
- American Physical Society
- Copyright date:
- 2018
- Notes:
-
Copyright © 2018 American Physical Society. This is the accepted manuscript version of the article. The final version is available online from the American Physical Society at: https://doi.org/10.1103/PhysRevLett.120.265501
Journal article
Negative hydration expansion in ZrW2O8: microscopic mechanism, spaghetti dynamics, and negative thermal expansion
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