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Switching Between Giant Positive and Negative Thermal Expansions of a YFe(CN) 6 ‐based Prussian Blue Analogue Induced by Guest Species
Author(s) -
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
Publication year - 2017
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201702955
Subject(s) - negative thermal expansion , prussian blue , thermal expansion , diffraction , materials science , neutron diffraction , ion , synchrotron , molecule , thermal , density functional theory , absorption (acoustics) , crystallography , chemical physics , condensed matter physics , chemistry , crystal structure , computational chemistry , thermodynamics , physics , optics , organic chemistry , composite material , electrode , electrochemistry
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 (H 2 O) can substantially switch thermal expansion of YFe(CN) 6 from negative ( α v =−33.67×10 −6 K −1 ) to positive ( α v =+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.