Switching Between Giant Positive and Negative Thermal Expansions of a YFe(CN)6-based Prussian Blue Analogue Induced by Guest Species
Switching Between Giant Positive and Negative Thermal Expansions of a YFe(CN)6-based Prussian Blue Analogue Induced by Guest Species
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客体物种诱导的基于 YFe(CN)(6) 的普鲁士蓝类似物的巨大正热膨胀和负热膨胀之间的切换
DOI：
10.1002/anie.201702955
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发表时间：
2017-07-24
影响因子：
16.6
通讯作者：
Xing, Xianran
中科院分区：
文献类型：
--
作者：
Gao, Qilong;Chen, Jun;Xing, Xianran
固体化合物的热膨胀控制是有趣的，但仍然具有挑战性。研究了客体对开放骨架结构热膨胀的影响。值得注意的是，客体离子（K+）和分子（H2O）的存在可以基本上将YFe（CN）（6）的热膨胀从负（α（v）= -33.67 X 10（-6）K-1）切换到正（α（v）= +42.72 X 10（-6）K-1）--覆盖大多数无机化合物的热膨胀的范围。同步加速器X射线衍射、X射线吸收精细结构、中子粉末衍射和密度泛函理论计算的联合研究揭示了这种大幅热膨胀切换的机制。客体离子或分子的存在对横向振动起关键的阻尼作用，从而抑制负热膨胀。本文提出了一种通过调节客体的存在来控制开孔骨架材料热膨胀的有效方法。
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 (alpha(v) = -33.67 X 10(-6) K-1) to positive (alpha(v) = +42.72 X 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.