Effect of extra-framework cations on negative linear compressibility and high pressure phase transitions: a study of KCd[Ag(CN)2]3
File(s)
Published version
Author(s)
Type
Journal Article
Abstract
The negative thermal expansion material potassium cadmium dicyanoargentate, KCd[Ag(CN)2]3, is studied at high pressure using a combination of X-ray single crystal diffraction, X-ray powder diffraction, infrared and Raman spectroscopy, and density functional theory calculations. In common with the isostructural manganese analogue, KMn[Ag(CN)2]3, this material is shown to exhibit very strong negative linear compressibility (NLC) in the crystallographic c direction due to structure hinging. We find increased structural flexibility results in enhanced NLC and NTE properties, but this also leads to two pressure-induced phase transitions—to very large unit cells involving octahedral tilting and shearing of the structure—below 2 GPa. The presence of potassium cations has an important effect on the mechanical and thermodynamic properties of this family, whilst the chemical versatility demonstrated here is of considerable interest to tune unusual mechanical properties for application.
Date Issued
2020-03-04
Date Acceptance
2020-03-04
Citation
The Journal of Physical Chemistry C, 2020, 124 (12), pp.6896-6906
ISSN
1932-7447
Publisher
American Chemical Society (ACS)
Start Page
6896
End Page
6906
Journal / Book Title
The Journal of Physical Chemistry C
Volume
124
Issue
12
Copyright Statement
© 2020 American Chemical Society. This is an open access article published under a Creative Commons Attribution (CC-BY)
License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html), which permits unrestricted use, distribution and reproduction in any medium,
provided the author and source are cited.
License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html), which permits unrestricted use, distribution and reproduction in any medium,
provided the author and source are cited.
Identifier
https://pubs.acs.org/doi/10.1021/acs.jpcc.9b11399
Subjects
Science & Technology
Physical Sciences
Technology
Chemistry, Physical
Nanoscience & Nanotechnology
Materials Science, Multidisciplinary
Chemistry
Science & Technology - Other Topics
Materials Science
THERMAL-EXPANSION
CONSTANTS
03 Chemical Sciences
09 Engineering
10 Technology
Physical Chemistry
Publication Status
Published online
Article Number
acs.jpcc.9b11399
Date Publish Online
2020-03-04