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...
| Published in: | Beilstein Journal of Nanotechnology |
|---|---|
| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Published: |
Beilstein-Institut
2014-04-01
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| Subjects: | |
| Online Access: | https://doi.org/10.3762/bjnano.5.49 |
| _version_ | 1857092156979675136 |
|---|---|
| author | Suchitra W. de Silva Aijun Du Wijitha Senadeera Yuantong Gu |
| author_facet | Suchitra W. de Silva Aijun Du Wijitha Senadeera Yuantong Gu |
| author_sort | Suchitra W. de Silva |
| collection | DOAJ |
| container_title | Beilstein Journal of Nanotechnology |
| description | 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. |
| format | Article |
| id | doaj-art-599cdd3a698b472cadaace2d2ccb2aeb |
| institution | Directory of Open Access Journals |
| issn | 2190-4286 |
| language | English |
| publishDate | 2014-04-01 |
| publisher | Beilstein-Institut |
| record_format | Article |
| spelling | doaj-art-599cdd3a698b472cadaace2d2ccb2aeb2025-08-19T19:18:41ZengBeilstein-InstitutBeilstein Journal of Nanotechnology2190-42862014-04-015141341810.3762/bjnano.5.492190-4286-5-49Neutral and charged boron-doped fullerenes for CO2 adsorptionSuchitra W. de Silva0Aijun Du1Wijitha Senadeera2Yuantong Gu3School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Brisbane 4001, AustraliaSchool of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Brisbane 4001, AustraliaSchool of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Brisbane 4001, AustraliaSchool of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Brisbane 4001, AustraliaRecently, 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.https://doi.org/10.3762/bjnano.5.49adsorptionboron dopingCO2 capturedensity functional theory (DFT)heterofullerene |
| spellingShingle | Suchitra W. de Silva Aijun Du Wijitha Senadeera Yuantong Gu Neutral and charged boron-doped fullerenes for CO2 adsorption adsorption boron doping CO2 capture density functional theory (DFT) heterofullerene |
| title | Neutral and charged boron-doped fullerenes for CO2 adsorption |
| title_full | Neutral and charged boron-doped fullerenes for CO2 adsorption |
| title_fullStr | Neutral and charged boron-doped fullerenes for CO2 adsorption |
| title_full_unstemmed | Neutral and charged boron-doped fullerenes for CO2 adsorption |
| title_short | Neutral and charged boron-doped fullerenes for CO2 adsorption |
| title_sort | neutral and charged boron doped fullerenes for co2 adsorption |
| topic | adsorption boron doping CO2 capture density functional theory (DFT) heterofullerene |
| url | https://doi.org/10.3762/bjnano.5.49 |
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