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Mechanisms underlying the shape effect on nano-piezoelectricity

R.J. Wang, C.Y. Wang, Y.T. Feng, C. Tang, Yuntian Feng Orcid Logo, Chengyuan Wang Orcid Logo

Nano Energy, Volume: 53, Pages: 906 - 915

Swansea University Authors: Yuntian Feng Orcid Logo, Chengyuan Wang Orcid Logo

Abstract

Piezoelectric nanowires (NWs) or nanotubes (NTs) are a vital component in nano-electromechanical and piezo-electronic device development. With various cross-sectional geometries achievable, the piezoelectric property-cross sectional shape relation is of fundamental interest. As existing studies (pri...

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Published in: Nano Energy
ISSN: 22112855
Published: 2018
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa44424
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Abstract: Piezoelectric nanowires (NWs) or nanotubes (NTs) are a vital component in nano-electromechanical and piezo-electronic device development. With various cross-sectional geometries achievable, the piezoelectric property-cross sectional shape relation is of fundamental interest. As existing studies (primarily based on first-principles calculations) are limited to ultrathin NWs or analysis based on continuum theories, the present work employs molecular statics (MS) simulation, which enables the examination of NWs/NTs up to cross-sectional size of 20.6nm and elucidation of the underlying mechanisms at the atomic level. Analyses are carried out for NWs/NTs with experimentally observed geometry by comparing their size-dependence of effective piezoelectric constant and the radial distribution of the average dipole moment change with strain. The fraction of strain-sensitive dipoles, initial volume contraction and surface piezoelectricity were shown to control the shape effect on the piezoelectricity of ZnO nanostructures.
Keywords: Zinc oxide Nanowires, shape effect, piezoelectric constants, volume contraction
College: College of Engineering
Start Page: 906
End Page: 915