Silicon carbide nanobelt : a novel molecule with potential technological application
Recently, Povie et al. synthesized and isolated the (12) cyclophenacene (carbon nanobelt). Inspired by this synthesis, this work proposes a new molecule based on carbon nanobelt and composed by silicon carbide (SiC nanobelt). An extensive theoretical study indicated that SiC nanobelt has a stable st...
| Main Authors: | Barbosa, Leonardo de Souza, Leal, Luciano Almeida, Gargano, Ricardo, Azevedo, David Lima |
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| Format: | Artigo |
| Language: | Inglês |
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Elsevier BV
2021
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https://repositorio.unb.br/handle/10482/41152 https://doi.org/10.1016/j.comptc.2019.112645 |
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ir-10482-411522021-06-10T18:25:38Z Silicon carbide nanobelt : a novel molecule with potential technological application Barbosa, Leonardo de Souza Leal, Luciano Almeida Gargano, Ricardo Azevedo, David Lima Carbeto de silício Teoria do funcional da densidade (DFT) Propriedades eletrônicas Propriedades ópticas Propriedades termodinâmicas Recently, Povie et al. synthesized and isolated the (12) cyclophenacene (carbon nanobelt). Inspired by this synthesis, this work proposes a new molecule based on carbon nanobelt and composed by silicon carbide (SiC nanobelt). An extensive theoretical study indicated that SiC nanobelt has a stable structure, behaves like a semiconductor and absorbs in the visible region with a maximum peak around 490 nm, presenting photoluminescence properties. These properties suggest that the synthesis of this molecule is feasible and it possesses a range of potential technological applications. It is expected that this study will stimulate and guide future experiments on SiC nanobelt synthesis. 2021-06-10T18:25:38Z 2021-06-10T18:25:38Z 2019-11-11 Artigo BARBOSA, Leonardo S. et al. Silicon carbide nanobelt: a novel molecule with potential technological application. Computational and Theoretical Chemistry, v. 1171, 112645, 1 jan. 2020. DOI: https://doi.org/10.1016/j.comptc.2019.112645. https://repositorio.unb.br/handle/10482/41152 https://doi.org/10.1016/j.comptc.2019.112645 Inglês https://www.sciencedirect.com/science/article/abs/pii/S2210271X1930341X Acesso Restrito application/pdf Elsevier BV |
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REPOSITORIO UNB |
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Inglês |
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Carbeto de silício Teoria do funcional da densidade (DFT) Propriedades eletrônicas Propriedades ópticas Propriedades termodinâmicas |
| spellingShingle |
Carbeto de silício Teoria do funcional da densidade (DFT) Propriedades eletrônicas Propriedades ópticas Propriedades termodinâmicas Barbosa, Leonardo de Souza Leal, Luciano Almeida Gargano, Ricardo Azevedo, David Lima Silicon carbide nanobelt : a novel molecule with potential technological application |
| description |
Recently, Povie et al. synthesized and isolated the (12) cyclophenacene (carbon nanobelt). Inspired by this synthesis, this work proposes a new molecule based on carbon nanobelt and composed by silicon carbide (SiC nanobelt). An extensive theoretical study indicated that SiC nanobelt has a stable structure, behaves like a semiconductor and absorbs in the visible region with a maximum peak around 490 nm, presenting photoluminescence properties. These properties suggest that the synthesis of this molecule is feasible and it possesses a range of potential technological applications. It is expected that this study will stimulate and guide future experiments on SiC nanobelt synthesis. |
| format |
Artigo |
| author |
Barbosa, Leonardo de Souza Leal, Luciano Almeida Gargano, Ricardo Azevedo, David Lima |
| author_sort |
Barbosa, Leonardo de Souza |
| title |
Silicon carbide nanobelt : a novel molecule with potential technological application |
| title_short |
Silicon carbide nanobelt : a novel molecule with potential technological application |
| title_full |
Silicon carbide nanobelt : a novel molecule with potential technological application |
| title_fullStr |
Silicon carbide nanobelt : a novel molecule with potential technological application |
| title_full_unstemmed |
Silicon carbide nanobelt : a novel molecule with potential technological application |
| title_sort |
silicon carbide nanobelt : a novel molecule with potential technological application |
| publisher |
Elsevier BV |
| publishDate |
2021 |
| url |
https://repositorio.unb.br/handle/10482/41152 https://doi.org/10.1016/j.comptc.2019.112645 |
| _version_ |
1710449641757081600 |
| score |
13.657419 |