De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities
De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities
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DOI：
10.1038/nchem.834
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发表时间：
2010-11-01
期刊：
影响因子：
21.8
通讯作者：
Hupp, Joseph T.
中科院分区：
文献类型：
--
作者：
Farha, Omar K.;Yazaydin, A. Oezguer;Hupp, Joseph T.
金属-有机骨架--一类由金属离子和有机桥构建的多孔杂化材料--最近显示出广泛应用的巨大前景。构建块的大量选择意味着金属-有机骨架的结构和孔特征可以相对容易地进行调整。然而，尽管进行了大量研究，但准备专门为特定应用程序定制的框架仍然具有挑战性。在这里，我们使用计算模型来设计和预测性地表征具有特别高表面积的金属-有机骨架(NU-100)。随后的实验合成得到了一种与计算结构匹配的材料，具有高比表面积(6143m(2)g(-1))。此外，吸附测量表明，该材料对氢(164 mg g(-1))和二氧化碳(2,315 mg g(-1))的存储能力很高，这两种气体分别在清洁能源和气候变化方面非常重要--与模型预测非常一致。
Metal-organic frameworks-a class of porous hybrid materials built from metal ions and organic bridges-have recently shown great promise for a wide variety of applications. The large choice of building blocks means that the structures and pore characteristics of the metal-organic frameworks can be tuned relatively easily. However, despite much research, it remains challenging to prepare frameworks specifically tailored for particular applications. Here, we have used computational modelling to design and predictively characterize a metal-organic framework (NU-100) with a particularly high surface area. Subsequent experimental synthesis yielded a material, matching the calculated structure, with a high BET surface area (6,143 m(2) g(-1)). Furthermore, sorption measurements revealed that the material had high storage capacities for hydrogen (164 mg g(-1)) and carbon dioxide (2,315 mg g(-1))-gases of high importance in the contexts of clean energy and climate alteration, respectively-in excellent agreement with predictions from modelling.