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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

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DOI (Published version): 10.1016/j.nanoen.2018.09.031

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
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URI: https://cronfa.swan.ac.uk/Record/cronfa44424
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first_indexed 2018-09-20T12:58:12Z
last_indexed 2018-11-13T20:15:46Z
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spelling 2018-11-13T16:34:11.1458870 v2 44424 2018-09-20 Mechanisms underlying the shape effect on nano-piezoelectricity d66794f9c1357969a5badf654f960275 0000-0002-6396-8698 Yuntian Feng Yuntian Feng true false fdea93ab99f51d0b3921d3601876c1e5 0000-0002-1001-2537 Chengyuan Wang Chengyuan Wang true false 2018-09-20 CIVL 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. Journal Article Nano Energy 53 906 915 22112855 Zinc oxide Nanowires, shape effect, piezoelectric constants, volume contraction 31 12 2018 2018-12-31 10.1016/j.nanoen.2018.09.031 COLLEGE NANME Civil Engineering COLLEGE CODE CIVL Swansea University 2018-11-13T16:34:11.1458870 2018-09-20T08:33:52.3201311 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Civil Engineering R.J. Wang 1 C.Y. Wang 2 Y.T. Feng 3 C. Tang 4 Yuntian Feng 0000-0002-6396-8698 5 Chengyuan Wang 0000-0002-1001-2537 6 0044424-20092018083710.pdf wang2018(6).pdf 2018-09-20T08:37:10.1030000 Output 1592541 application/pdf Accepted Manuscript true 2019-09-15T00:00:00.0000000 true eng
title Mechanisms underlying the shape effect on nano-piezoelectricity
spellingShingle Mechanisms underlying the shape effect on nano-piezoelectricity
Yuntian Feng
Chengyuan Wang
title_short Mechanisms underlying the shape effect on nano-piezoelectricity
title_full Mechanisms underlying the shape effect on nano-piezoelectricity
title_fullStr Mechanisms underlying the shape effect on nano-piezoelectricity
title_full_unstemmed Mechanisms underlying the shape effect on nano-piezoelectricity
title_sort Mechanisms underlying the shape effect on nano-piezoelectricity
author_id_str_mv d66794f9c1357969a5badf654f960275
fdea93ab99f51d0b3921d3601876c1e5
author_id_fullname_str_mv d66794f9c1357969a5badf654f960275_***_Yuntian Feng
fdea93ab99f51d0b3921d3601876c1e5_***_Chengyuan Wang
author Yuntian Feng
Chengyuan Wang
author2 R.J. Wang
C.Y. Wang
Y.T. Feng
C. Tang
Yuntian Feng
Chengyuan Wang
format Journal article
container_title Nano Energy
container_volume 53
container_start_page 906
publishDate 2018
institution Swansea University
issn 22112855
doi_str_mv 10.1016/j.nanoen.2018.09.031
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Civil Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Civil Engineering
document_store_str 1
active_str 0
description 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.
published_date 2018-12-31T03:55:37Z
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score 11.037056

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