Details
| Original language | English |
|---|---|
| Article number | 225702 |
| Pages (from-to) | 225702 |
| Journal | Nanotechnology |
| Volume | 29 |
| Issue number | 22 |
| Publication status | Published - 29 Mar 2018 |
Abstract
Graphene is a non-piezoelectric material. Engineering the piezoelectricity in graphene is possible with the help of impurities, defects and structural modifications. This study reports the mechanism of strain induced polarization and the estimation of piezoelectric and flexoelectric coefficients for graphene system. The combination of charge-dipole potential and the strong many-body potential is employed for describing the inter-atomic interactions. The breaking of symmetry in graphene material is utilized to generate the polarization. Pristine graphene, graphene with circular defect, graphene with triangular defect and trapezium-shaped graphene are considered. Molecular dynamics simulations are performed for straining the graphene atomic systems. The optimization of charge-dipole potential functions measure the polarization for these systems. Pristine and circular defect graphene systems show a constant polarization with strain. The polarization is varying with strain for a triangular defected and trapezium-shaped graphene system. The local atomic deformation produces a change in polarization with respect to the strain gradient. Estimated piezo and flexo coefficients motivate the usage of graphene in electro-mechanical devices.
Keywords
- electrical polarization, flexoelectricity, grapheme, material symmetry, molecular dynamics, piezoelectricity
ASJC Scopus subject areas
- Chemical Engineering(all)
- Bioengineering
- Chemistry(all)
- General Chemistry
- Materials Science(all)
- General Materials Science
- Engineering(all)
- Mechanics of Materials
- Engineering(all)
- Mechanical Engineering
- Engineering(all)
- Electrical and Electronic Engineering
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In: Nanotechnology, Vol. 29, No. 22, 225702, 29.03.2018, p. 225702.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - The generation of piezoelectricity and flexoelectricity in graphene by breaking the materials symmetries
AU - Javvaji, Brahmanandam
AU - He, Bo
AU - Zhuang, Xiaoying
N1 - Funding information: The authors gratefully acknowledge the sponsorship from Sofja Kovalevskaja Programme of Alexander von Humboldt Foundation and the National Science Foundation of China (11772234).
PY - 2018/3/29
Y1 - 2018/3/29
N2 - Graphene is a non-piezoelectric material. Engineering the piezoelectricity in graphene is possible with the help of impurities, defects and structural modifications. This study reports the mechanism of strain induced polarization and the estimation of piezoelectric and flexoelectric coefficients for graphene system. The combination of charge-dipole potential and the strong many-body potential is employed for describing the inter-atomic interactions. The breaking of symmetry in graphene material is utilized to generate the polarization. Pristine graphene, graphene with circular defect, graphene with triangular defect and trapezium-shaped graphene are considered. Molecular dynamics simulations are performed for straining the graphene atomic systems. The optimization of charge-dipole potential functions measure the polarization for these systems. Pristine and circular defect graphene systems show a constant polarization with strain. The polarization is varying with strain for a triangular defected and trapezium-shaped graphene system. The local atomic deformation produces a change in polarization with respect to the strain gradient. Estimated piezo and flexo coefficients motivate the usage of graphene in electro-mechanical devices.
AB - Graphene is a non-piezoelectric material. Engineering the piezoelectricity in graphene is possible with the help of impurities, defects and structural modifications. This study reports the mechanism of strain induced polarization and the estimation of piezoelectric and flexoelectric coefficients for graphene system. The combination of charge-dipole potential and the strong many-body potential is employed for describing the inter-atomic interactions. The breaking of symmetry in graphene material is utilized to generate the polarization. Pristine graphene, graphene with circular defect, graphene with triangular defect and trapezium-shaped graphene are considered. Molecular dynamics simulations are performed for straining the graphene atomic systems. The optimization of charge-dipole potential functions measure the polarization for these systems. Pristine and circular defect graphene systems show a constant polarization with strain. The polarization is varying with strain for a triangular defected and trapezium-shaped graphene system. The local atomic deformation produces a change in polarization with respect to the strain gradient. Estimated piezo and flexo coefficients motivate the usage of graphene in electro-mechanical devices.
KW - electrical polarization
KW - flexoelectricity
KW - grapheme
KW - material symmetry
KW - molecular dynamics
KW - piezoelectricity
UR - http://www.scopus.com/inward/record.url?scp=85045584584&partnerID=8YFLogxK
U2 - 10.1088/1361-6528/aab5ad
DO - 10.1088/1361-6528/aab5ad
M3 - Article
C2 - 29522422
AN - SCOPUS:85045584584
VL - 29
SP - 225702
JO - Nanotechnology
JF - Nanotechnology
SN - 0957-4484
IS - 22
M1 - 225702
ER -