Switching Between Giant Positive and Negative Thermal Expansions of a YFe(CN)6-Based Prussian Blue Analogue Induced by Guest Species

Published

July 24, 2017

Author(s)

Qilong Gao, Jun Chen, Qiang Sun, Dahu Chang, Qingzhen Huang, Hui Wu, Andrea Sanson, Ruggero Milazzo, He Zhu, Qiang Li, Zhanning Liu, Jinxia Deng, Xianran Xing

Abstract

The control of thermal expansion of solid compounds is intriguing but remains challenge. In this study, we investigate the effect of guests on the thermal expansion of open-framework structures. It is interesting to observe that the presence of guest ions, (K⁺) and molecules (H₂O) can largely switch thermal expansion of YFe(CN)₆ from negative (α_v = -33.67 x 10^-6 K^-1) to positive (α_v = +42.72 x 10^-6 K^-1), a range which covers the thermal expansion of most inorganic compounds. The mechanism of such giant switching of thermal expansion is revealed via joint studies of synchrotron X-ray diffraction, and density functional theory calculations. The presence of guest ions or molecules plays a critical damping effect on transverse vibrations, thus inhibiting the negative thermal expansion. The present study demonstrates an effective method to control the thermal expansion in open-framework materials by adjusting the presence of guests.

Citation

Angewandte Chemie-International Edition

Volume

56

Issue

31

Pub Type

Journals

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Keywords

Negative thermal expansion, Diffraction, open framework and guest molecule

Citation

Gao, Q. , Chen, J. , Sun, Q. , Chang, D. , Huang, Q. , Wu, H. , Sanson, A. , Milazzo, R. , Zhu, H. , Li, Q. , Liu, Z. , Deng, J. and Xing, X. (2017), Switching Between Giant Positive and Negative Thermal Expansions of a YFe(CN)₆-Based Prussian Blue Analogue Induced by Guest Species, Angewandte Chemie-International Edition, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=923648 (Accessed October 10, 2025)