Titre:	Silicon carbide nanobelt : a novel molecule with potential technological application
Auteur(s):	Barbosa, Leonardo de Souza Leal, Luciano Almeida Gargano, Ricardo Azevedo, David Lima
Assunto::	Carbeto de silício Teoria do funcional da densidade (DFT) Propriedades eletrônicas Propriedades ópticas Propriedades termodinâmicas
Date de publication:	11-nov-2019
Editeur:	Elsevier BV
Référence bibliographique:	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.
Abstract:	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.
DOI:	https://doi.org/10.1016/j.comptc.2019.112645
metadata.dc.relation.publisherversion:	https://www.sciencedirect.com/science/article/abs/pii/S2210271X1930341X
Collection(s) :	Artigos publicados em periódicos e afins

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