本申请拟通过化学手段，将富电子共轭体系的刚性C60球体开孔，得到不同孔洞大小的、中空“纳米罐”，用以“预装”碱金属锂离子，借助Friedel-Crafts反应共聚，将掺杂的“纳米罐”高密度的引入多孔聚合物骨架中，制备高BET面积、高吸附势能的有机微孔聚合物，用以气体的吸附存储。同时借助计算机Amorphous Cell进行建模，模拟含封闭、开孔、不同开孔大小的C60“纳米罐”多孔聚合物，并计算其在不同温度、压力下的气体存储能力，吸附模拟显示开孔C60“纳米罐”的引入可显著提高多孔聚合物的气体存储能力。

This project plane to introduce open-cage fullerene C60 derivatives into the backbone of the networks to prepare a serises of microporous organic polymers. By Friedel-Crafts hyper cross-linking, rigid open-cage fullerene derivatives were introduced into the backbone of the microporous polymers, which will provide a nano-cage for Li+ ion doping and H2, CO2, CH4 storage. Before this application we we first using calculate model Amorphous Cell to construct the porosity networks with different C60 derivates, then using this model to calculate the gas adsorption isotherms at different press and temperature, the result show that open-cage C60 nano-pot will improve the gas storage of the target porosity polymers, which maybe a good ideal for small gas molecule capture and sequestration.