Neutral and charged boron-doped fullerenes for CO2 adsorption
Article
Article Title | Neutral and charged boron-doped fullerenes for CO2 adsorption |
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ERA Journal ID | 200204 |
Article Category | Article |
Authors | de Silva, Suchitra W. (Author), Du, Aijun (Author), Senadeera, Wijitha (Author) and Gu, YuanTong (Author) |
Journal Title | Beilstein Journal of Nanotechnology |
Journal Citation | 5, pp. 413-418 |
Number of Pages | 6 |
Year | 2014 |
Publisher | Beilstein Institut |
Place of Publication | Germany |
ISSN | 2190-4286 |
Digital Object Identifier (DOI) | https://doi.org/10.3762/bjnano.5.49 |
Web Address (URL) | http://www.beilstein-journals.org/bjnano/single/articleFullText.htm?publicId=2190-4286-5-49 |
Abstract | 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. |
Keywords | Co2 capture, emissions, Bc59 |
ANZSRC Field of Research 2020 | 401799. Mechanical engineering not elsewhere classified |
Byline Affiliations | Queensland University of Technology |
Institution of Origin | University of Southern Queensland |
https://research.usq.edu.au/item/q3wy4/neutral-and-charged-boron-doped-fullerenes-for-co2-adsorption
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