Neutral and charged boron-doped fullerenes for CO2 adsorption

Recently, the capture and storage of CO2 have attracted research interest as a strategy to reduce the global emissions of greenhouse gases. It is crucial to find suitable materials to achieve an efficient CO2 capture. Here we report our study of CO2 adsorption on boron-doped C60 fullerene in the neu...

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書目詳細資料
發表在:Beilstein Journal of Nanotechnology
Main Authors: Suchitra W. de Silva, Aijun Du, Wijitha Senadeera, Yuantong Gu
格式: Article
語言:英语
出版: Beilstein-Institut 2014-04-01
主題:
adsorption
boron doping
CO2 capture
density functional theory (DFT)
heterofullerene
在線閱讀:https://doi.org/10.3762/bjnano.5.49
實物特徵
總結:Recently, the capture and storage of CO2 have attracted research interest as a strategy to reduce the global emissions of greenhouse gases. It is crucial to find suitable materials to achieve an efficient CO2 capture. Here we report our study of CO2 adsorption on boron-doped C60 fullerene in the neutral state and in the 1e−-charged state. We use first principle density functional calculations to simulate the CO2 adsorption. The results show that CO2 can form weak interactions with the BC59 cage in its neutral state and the interactions can be enhanced significantly by introducing an extra electron to the system.
ISSN:2190-4286

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