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Issue 1, 2020
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Shape- and size dependent piezoelectric properties of monolayer hexagonal boron nitride nanosheets

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Abstract

We use molecular dynamics simulations (MD) to study piezoelectric properties of hexagonal boron nitride nanosheets (BNNS) and reveal how piezoelectric properties depend on size and shape. We first analyze how the macroscopic shape affects the full 2D structure symmetry and its piezoelectric tensor. In particular, we demonstrate that a hexagonal (rectangular)-shaped BNNS belongs to the hexagonal [6 with combining macron]m2 (monoclinic m) point group. Our simulation results show that the piezoelectric constants of BNNS depend strongly on the macroscopic shape, in agreement with the symmetry of the structure, but are nearly independent of the macroscopic size. The present study provides a detailed understanding of the piezoelectric properties of finite size BNNS and guidance to future experiments and optimization of 2D piezoelectric materials in general.

Graphical abstract: Shape- and size dependent piezoelectric properties of monolayer hexagonal boron nitride nanosheets

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Article information


Submitted
10 Oct 2019
Accepted
09 Dec 2019
First published
09 Dec 2019

This article is Open Access

Nanoscale Adv., 2020,2, 470-477
Article type
Paper

Shape- and size dependent piezoelectric properties of monolayer hexagonal boron nitride nanosheets

Y. Nan, D. Tan, J. Zhao, M. Willatzen and Z. L. Wang, Nanoscale Adv., 2020, 2, 470
DOI: 10.1039/C9NA00643E

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