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- Title
Switching Between Giant Positive and Negative Thermal Expansions of a YFe(CN)<sub>6</sub>-based Prussian Blue Analogue Induced by Guest Species.
- Authors
Gao, Qilong; Chen, Jun; Sun, Qiang; Chang, Dahu; Huang, Qingzhen; Wu, Hui; Sanson, Andrea; Milazzo, Ruggero; Zhu, He; Li, Qiang; Liu, Zhanning; Deng, Jinxia; Xing, Xianran
- Abstract
The control of thermal expansion of solid compounds is intriguing but remains challenging. The effect of guests on the thermal expansion of open-framework structures was investigated. Notably, the presence of guest ions (K+) and molecules (H2O) can substantially switch thermal expansion of YFe(CN)6 from negative ( αv=−33.67×10−6 K−1) to positive ( αv=+42.72×10−6 K−1)-a range that covers the thermal expansion of most inorganic compounds. The mechanism of such substantial thermal expansion switching is revealed by joint studies with synchrotron X-ray diffraction, X-ray absorption fine structure, neutron powder diffraction, and density functional theory calculations. The presence of guest ions or molecules plays a critical damping effect on transverse vibrations, thus inhibiting negative thermal expansion. An effective method is demonstrated to control the thermal expansion in open-framework materials by adjusting the presence of guests.
- Subjects
THERMAL expansion; PRUSSIAN blue; MOLECULAR structure; X-ray diffraction; DENSITY functional theory; MOLECULAR vibration
- Publication
Angewandte Chemie, 2017, Vol 129, Issue 31, p9151
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.201702955