针对现阶段物理吸附储氢材料面临的储氢效率低下的问题,发展吸附储氢材料的热点需求,开展了以MOFs材料为代表的低温吸附储氢模拟研究,分析了吸附储氢量与孔体积、比表面积、孔径之间的关系,探明了吸附材料的物理储氢量与孔体积呈线性正相关。此外,从配体长度、金属团簇、金属价态等角度出发,研究了储氢材料吸附性能对材料结构的响应规律,对今后的吸附储氢材料设计具有一定的指导意义。
In response to the problem of low hydrogen storage efficiency faced by physical adsorption hydrogen storage materials at present and the urgent demand for the development of adsorption hydrogen storage materials,low-temperature adsorption hydrogen storage simulation research represented by MOFs materials was carried out.The relationship between adsorption hydrogen storage capacity and pore volume,specific surface area,and pore size was analyzed.It was found that the physical hydrogen storage capacity (wt%) of adsorption materials was linearly positively correlated with pore volume.In addition,this article studied the response patterns of hydrogen storage material adsorption performance to material structure from the perspectives of ligand length,metal clusters,metal valence states,etc.,providing certain guiding significance for the design of adsorption hydrogen storage materials in the future.
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