Modulated self-assembly of an interpenetrated MIL-53 Sc metal-organic framework with excellent volumetric H2 storage and working capacity
Modulated self-assembly of an interpenetrated MIL-53 Sc metal-organic framework with excellent volumetric H2 storage and working capacity
复制标题
具有优异体积氢气存储和工作能力的互穿 MIL-53 Sc 金属有机框架的调制自组装
DOI：
10.1016/j.mtchem.2022.100887
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发表时间：
2022
影响因子：
7.3
通讯作者：
Thom A
中科院分区：
文献类型：
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作者：
Thom A
为了在气体储存和输送应用中实现最佳性能，金属有机骨架(MOF)必须结合高重量和体积容量。平衡高孔体积和合适的晶体密度的一个潜在途径是互穿，即完全相同的网位于彼此的空隙中。在这里，我们报道了一种名为GUF-1的互穿MIL-53拓扑结构，其中一维SC(μ2-OH)链通过4，4‘-(乙炔-1，2-二基)二苯甲酸酯连接物连接到一种材料中，这是一个具有棒状次级建筑单元的互穿结构MOF的罕见例子。采用调制自组装和宏正则蒙特卡罗模拟相结合的方法优化了GUF-1的孔隙率；吸附等温线显示，在温度-压力变化系统中，H_2的Q值为7.6万亿焦/克分子筛，工作容量为41克/L吨，与基准MOF相当。这些结果表明，互穿是获得由相对简单的积木组成的高性能储气材料的一条潜在的可行途径。
To achieve optimal performance in gas storage and delivery applications, metal–organic frameworks (MOFs) must combine high gravimetric and volumetric capacities. One potential route to balancing high pore volume with suitable crystal density is interpenetration, where identical nets sit within the void space of one another. Herein, we report an interpenetrated MIL-53 topology MOF, named GUF-1, where one-dimensional Sc(μ2-OH) chains are connected by 4,4′-(ethyne-1,2-diyl)dibenzoate linkers into a material that is an unusual example of an interpenetrated MOF with a rod-like secondary building unit. A combination of modulated self-assembly and grand canonical Monte Carlo simulations are used to optimise the porosity of GUF-1; H2adsorption isotherms reveal a moderately highQstfor H2of 7.6 kJ/mol and a working capacity of 41 g/L in a temperature–pressure swing system, which is comparable to benchmark MOFs. These results show that interpenetration is a potentially viable route to high-performance gas storage materials comprised of relatively simple building blocks.