无定形固体
沸石咪唑盐骨架
金属有机骨架
分子动力学
材料科学
对分布函数
表征(材料科学)
化学物理
多孔性
咪唑酯
纳米技术
液态金属
化学
结晶学
计算化学
物理化学
有机化学
物理
吸附
复合材料
量子力学
作者
Romain Gaillac,Pluton Pullumbi,Kevin A. Beyer,Karena W. Chapman,David A. Keen,Thomas D. Bennett,François‐Xavier Coudert
出处
期刊:Nature Materials
[Springer Nature]
日期:2017-10-09
卷期号:16 (11): 1149-1154
被引量:234
摘要
Metal-organic frameworks (MOFs) are a family of chemically diverse materials, with applications in a wide range of fields, covering engineering, physics, chemistry, biology and medicine. Until recently, research has focused almost entirely on crystalline structures, yet now a clear trend is emerging, shifting the emphasis onto disordered states, including 'defective by design' crystals, as well as amorphous phases such as glasses and gels. Here we introduce a strongly associated MOF liquid, obtained by melting a zeolitic imidazolate framework. We combine in situ variable temperature X-ray, ex situ neutron pair distribution function experiments, and first-principles molecular dynamics simulations to study the melting phenomenon and the nature of the liquid obtained. We demonstrate from structural, dynamical, and thermodynamical information that the chemical configuration, coordinative bonding, and porosity of the parent crystalline framework survive upon formation of the MOF liquid.
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