Neutral and charged boron-doped fullerenes for CO(2) adsorption

Recently, the capture and storage of CO(2) 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 CO(2) capture. Here we report our study of CO(2) adsorption on boron-doped C(60) fullerene in...

Descripción completa

Detalles Bibliográficos
Autores principales: de Silva, Suchitra W, Du, Aijun, Senadeera, Wijitha, Gu, Yuantong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2014
Materias:
Full Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3999830/
https://www.ncbi.nlm.nih.gov/pubmed/24778968
http://dx.doi.org/10.3762/bjnano.5.49
_version_ 1782313544092483584
author de Silva, Suchitra W
Du, Aijun
Senadeera, Wijitha
Gu, Yuantong
author_facet de Silva, Suchitra W
Du, Aijun
Senadeera, Wijitha
Gu, Yuantong
author_sort de Silva, Suchitra W
collection PubMed
description Recently, the capture and storage of CO(2) 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 CO(2) capture. Here we report our study of CO(2) adsorption on boron-doped C(60) fullerene in the neutral state and in the 1e(−)-charged state. We use first principle density functional calculations to simulate the CO(2) adsorption. The results show that CO(2) can form weak interactions with the BC(59) cage in its neutral state and the interactions can be enhanced significantly by introducing an extra electron to the system.
format Online
Article
Text
id pubmed-3999830
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher Beilstein-Institut
record_format MEDLINE/PubMed
spelling pubmed-39998302014-04-28 Neutral and charged boron-doped fullerenes for CO(2) adsorption de Silva, Suchitra W Du, Aijun Senadeera, Wijitha Gu, Yuantong Beilstein J Nanotechnol Full Research Paper Recently, the capture and storage of CO(2) 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 CO(2) capture. Here we report our study of CO(2) adsorption on boron-doped C(60) fullerene in the neutral state and in the 1e(−)-charged state. We use first principle density functional calculations to simulate the CO(2) adsorption. The results show that CO(2) can form weak interactions with the BC(59) cage in its neutral state and the interactions can be enhanced significantly by introducing an extra electron to the system. Beilstein-Institut 2014-04-07 /pmc/articles/PMC3999830/ /pubmed/24778968 http://dx.doi.org/10.3762/bjnano.5.49 Text en Copyright © 2014, de Silva et al. https://creativecommons.org/licenses/by/2.0https://www.beilstein-journals.org/bjnano/termsThis is an Open Access article under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The license is subject to the Beilstein Journal of Nanotechnology terms and conditions: (https://www.beilstein-journals.org/bjnano/terms)
spellingShingle Full Research Paper
de Silva, Suchitra W
Du, Aijun
Senadeera, Wijitha
Gu, Yuantong
Neutral and charged boron-doped fullerenes for CO(2) adsorption
title Neutral and charged boron-doped fullerenes for CO(2) adsorption
title_full Neutral and charged boron-doped fullerenes for CO(2) adsorption
title_fullStr Neutral and charged boron-doped fullerenes for CO(2) adsorption
title_full_unstemmed Neutral and charged boron-doped fullerenes for CO(2) adsorption
title_short Neutral and charged boron-doped fullerenes for CO(2) adsorption
title_sort neutral and charged boron-doped fullerenes for co(2) adsorption
topic Full Research Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3999830/
https://www.ncbi.nlm.nih.gov/pubmed/24778968
http://dx.doi.org/10.3762/bjnano.5.49
work_keys_str_mv AT desilvasuchitraw neutralandchargedborondopedfullerenesforco2adsorption
AT duaijun neutralandchargedborondopedfullerenesforco2adsorption
AT senadeerawijitha neutralandchargedborondopedfullerenesforco2adsorption
AT guyuantong neutralandchargedborondopedfullerenesforco2adsorption

Ejemplares similares