Enhanced CO₂ capture on graphene via N, S dual-doping

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• 作者：Jieyuan Li^a ; Meiling Hou^a ; Yanqiu Chen^b ; Wanglai Cen^b ; ^c ; Yinghao Chu^a ; ^c ; ^{chuyinghao@scu.edu.cn} ; Shi Yin^a ; ^{yinshi_scu@foxmail.com}
• 关键词：DFT ; Graphene ; CO2 capture ; N ; S dual-doping ; Charge delivery channel
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：31 March 2017
• 年：2017
• 卷：399
• 期：Complete
• 页码：420-425
• 全文大小：1424 K
• 卷排序：399

文摘

Sluggish conjugated π bonds of graphene should be weakened to promote adsorption activity. A charge delivery channel along S → N → CO2 path should be prior responsible for the enhancement of CO2 capture on graphene. Applicative temperature range of graphene-based adsorbents for CO2 capture is extend to about 100 °C via N, S dual-doping.