本发明提供了一种提高单层水滑石吸附CO2气体性能的方法，本发明采用第一性原理中的密度泛函理论，利用Material Studio 5.5量子模拟软件，构建出不同相和不同金属掺杂位点若干的单层水滑石模型，利用Dmol3程序包对不同金属掺杂的单层水滑石吸附CO2能力进行表征，根据表征数据筛选得到吸附CO2能力较优的单层水滑石结构；本发明利用密度泛函理论模拟方法，成功构建单层水滑石结构，且改变掺杂金属原子还可以快速预测单层水滑石结构的稳定性，缩短实验合成周期，并且通过量子化学软件可以模拟出不同成分单层水滑石对CO2的吸附能力，通过表征数据可以筛选出对CO2具有较强吸附能力的单层水滑石结构。
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[ DB ] CONNECT:[ UseTime:0.002117s ] mysql:host=pc-m5epcw1px949b110u.rwlb.rds.aliyuncs.com;port=3306;dbname=yousedb;charset=utf8
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[ SQL ] SELECT `id`,`title` FROM `tb_tech` WHERE `id` > 898537 AND `check_status` = 1 AND `category_id` = 147 ORDER BY `submit_date` ASC LIMIT 1 [ RunTime:0.008681s ]
[ SQL ] SELECT `id`,`title` FROM `tb_tech` WHERE `id` < 898537 AND `check_status` = 1 AND `category_id` = 147 ORDER BY `submit_date` DESC LIMIT 1 [ RunTime:0.008155s ]
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[ SQL ] SHOW COLUMNS FROM `tb_industry_report` [ RunTime:0.001150s ]
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