Tunable Thermal Expansion from Negative, Zero, to Positive in Cubic Prussian Blue Analogues of GaFe(CN)6

Gao, Qilong; Shi, Naike; Sanson, Andrea; Sun, Yu; Milazzo, Ruggero; Olivi, Luca; Zhu, He; Lapidus, Saul H.; Zheng, Lirong; Chen, Jun; Xing, Xianran

doi:10.1021/acs.inorgchem.8b02428

Title: Tunable Thermal Expansion from Negative, Zero, to Positive in Cubic Prussian Blue Analogues of GaFe(CN)₆

Journal Article · Tue Oct 30 00:00:00 EDT 2018 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.8b02428· OSTI ID:1493740

Gao, Qilong ^[1]; Shi, Naike ^[1]; Sanson, Andrea ^[2]; Sun, Yu ^[1]; Milazzo, Ruggero ^[2]; Olivi, Luca ^[3]; Zhu, He ^[1]; Lapidus, Saul H. ^[4]; Zheng, Lirong ^[5];

^[1]; Xing, Xianran ^[1]

Univ. of Science and Technology Beijing, Beijing (China)
Univ. of Padova, Padova (Italy)
Elettra Sincrotrone Trieste, Basovizza (Italy)
Argonne National Lab. (ANL), Argonne, IL (United States)
Chinese Academy of Sciences, Beijing (China)

The control of thermal expansion of open framework Prussian blue analogues is vital but remains challenging. The present work proposes an effective method to control the thermal expansion, in which guest ions (Na⁺) and molecules (H₂O) can adjust the coeffecient of thermal expansion from strong negative, to near zero, to positive in GaFe(CN)₆ Prussian blue analogues. Direct experimental evidence by high resolution synchrotron X-ray diffraction and X-ray absorption fine structure shows that the guest ions or molecules have intense dampening effect on the transverse vibrations of -Ga–N≡C–Fe– linkage responsible for NTE, especially for N atoms. The role of guests in controlling thermal expansion is attributed to the strong interaction of local environment – steric dampening. Furthermore, the present study demonstrates that electrochemical or redox intercalation of guest ions can be a general and effective method for controlling thermal expansion for those open framework materials with negative thermal expansion driven by low Frequency phonons.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); USDOE

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1493740

Journal Information:: Inorganic Chemistry, Vol. 57, Issue 22; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 25 works

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Tunable thermal expansion and high hardness of (0.9− x )PbTiO ₃ – x CaTiO ₃ –0.1Bi(Zn _2/3 Ta _1/3 )O ₃ ceramics Yang, Tao; Lin, Kun; Wang, Na Inorganic Chemistry Frontiers, Vol. 6, Issue 4 https://doi.org/10.1039/c9qi00087a	journal	January 2019
First Principles Study on the Effect of Pressure on the Structure, Elasticity, and Magnetic Properties of Cubic GaFe(CN)6 Prussian Blue Analogue Zhang, Chuankun; Huang, Haiming; Luo, Shijun Applied Sciences, Vol. 9, Issue 8 https://doi.org/10.3390/app9081607	journal	April 2019

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