Piezoelectric Response of Porous Nanotubes Derived from Hexagonal Boron Nitride under Strain Influence

Autor(es)

Fabris, Guilherme S. L. ^[1] ; Marana, Naiara L. ^[1] ; Longo, Elson ^[2] ; Sambrano, Julio R. ^[1]

Afiliação do(s) autor(es)

^[1] Sao Paulo State Univ, Modeling & Mol Simulat Grp CDMF, BR-17033360 Bauru, SP - Brazil

^[2] Univ Fed Sao Carlos, Chem Inst CDMF, POB 14801-907, BR-13565905 Sao Carlos, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: ACS OMEGA; v. 3, n. 10, p. 13413-13421, OCT 2018.
• Citações Web of Science: 1

Resumo

A computational study via periodic density functional theory of porous nanotubes derived from single-layer surfaces of porous hexagonal boron nitride nanotubes (PBNNTs) and inorganic graphenylene-like boron nitride nanotubes (IGP-BNNTs) has been carried out with the main focus in its piezoelectric behavior. The simulations showed that the strain provides a meaningful improve in the piezoelectric response on the zigzag porous boron nitride nanotubes. Additionally, its stability, possible formation, elastic, and electronic properties were analyzed, and for comparison purpose, the porous graphene and graphenylene nanotubes were studied. From the elastic properties study, it was found that IGP-BNNTs exhibited a higher rigidity because of the influence of the superficial porous area, as compared to PBNNTs. The present study provides evidence that the strain is a way to maximize the piezoelectric response and make this material a good candidate for electromechanical devices. (AU)

• Processo FAPESP: 16/07476-9 - Nanotubos porosos de carbono e de semicondutores inorgânicos: uma abordagem computacional
• Beneficiário: Julio Ricardo Sambrano
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais
• Beneficiário: Elson Longo da Silva
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
• Processo FAPESP: 16/25500-4 - Funcionalização de nanotubos semicondutores via interface e adsorção de gases: uma abordagem computacional
• Beneficiário: Naiara Letícia Marana
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado