Shape- and size dependent piezoelectric properties of monolayer hexagonal boron nitride nanosheets. Issue 1 (17th December 2019)

• Record Type: Journal Article
• Authors: Nan, Yang; Tan, Dan; Zhao, Junqi; Willatzen, Morten; Wang, Zhong Lin
• Is Part Of: Nanoscale advances. Volume 2:Issue 1(2020)
• Page Start: 470
• Page End: 477
• Publication Date: 2019-12-17
• Subjects: 620.5
• DOI: 10.1039/c9na00643e
• Languages: English
• ISSNs: 2516-0230

Abstract

Abstract : A symmetry analysis of 2D BN nanosheet geometries is carried out. We demonstrate effective shape tuning of piezoelectric properties. 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 6̄ m 2 (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.