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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Fabris, Guilherme S. L. [1] ; Marana, Naiara L. [1] ; Longo, Elson [2] ; Sambrano, Julio R. [1]
Total Authors: 4
[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
Total Affiliations: 2
Document type: Journal article
Source: ACS OMEGA; v. 3, n. 10, p. 13413-13421, OCT 2018.
Web of Science Citations: 1

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)

FAPESP's process: 16/25500-4 - Functionalization of semiconductor nanotubes via interfaces and gas adsorption: a computational approach
Grantee:Naiara Letícia Marana
Support type: Scholarships in Brazil - Post-Doctorate
FAPESP's process: 16/07476-9 - Porous nanotubes of carbon and inorganic semiconductors: a computational study
Grantee:Julio Ricardo Sambrano
Support type: Regular Research Grants
FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
Grantee:Elson Longo da Silva
Support type: Research Grants - Research, Innovation and Dissemination Centers - RIDC