Details
| Original language | English |
|---|---|
| Article number | 1800097 |
| Journal | Advanced Theory and Simulations |
| Volume | 1 |
| Issue number | 12 |
| Publication status | Published - 4 Dec 2018 |
Abstract
The possibility of replacing the conductive gridline deposited on solar cells by highly electrically conductive graphene is opening new perspectives for the future generation of photovoltaics. Besides enhanced electric performance, graphene can also have a role in the resistance of silicon against cracking. Here, the influence of depositing graphene on the silicon surface, on the fracture properties of silicon, is investigated. To pin-point the influence of graphene, fracture properties estimated from molecular dynamics simulations of three different cases in uniaxial tension are compared. In the first case, the fracture properties of silicon alone are estimated in relation to different initial defect sizes. Second, the same simulations are repeated by depositing graphene on the silicon surface. Atomic interactions in the composite structure are modeled using the combined adaptive inter-molecular reactive empirical bond order (AIREBO) and Tersoff potential functions. Improvement of about 780% in the Young's modulus of silicon is achieved after coating with graphene. Furthermore, to study the influence of realistic initial defects in graphene, a third set of simulations is considered by repeating the previous tests but with initial cracks through graphene and silicon. Predictions show that graphene can be highly beneficial in strengthening and repairing micro-cracked silicon to decrease electrical power losses caused by cracks.
Keywords
- graphene, graphene-deposited silicon, molecular dynamics, photovoltaic solar cells, silicon
ASJC Scopus subject areas
- General
- Mathematics(all)
- Modelling and Simulation
- Mathematics(all)
- Numerical Analysis
- Mathematics(all)
- Statistics and Probability
Sustainable Development Goals
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In: Advanced Theory and Simulations, Vol. 1, No. 12, 1800097, 04.12.2018.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Fracture Properties of Graphene-Coated Silicon for Photovoltaics
AU - Javvaji, Brahmanandam
AU - Budarapu, Pattabhi Ramaiah
AU - Paggi, Marco
AU - Zhuang, Xiaoying
AU - Rabczuk, Timon
N1 - Publisher Copyright: © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2018/12/4
Y1 - 2018/12/4
N2 - The possibility of replacing the conductive gridline deposited on solar cells by highly electrically conductive graphene is opening new perspectives for the future generation of photovoltaics. Besides enhanced electric performance, graphene can also have a role in the resistance of silicon against cracking. Here, the influence of depositing graphene on the silicon surface, on the fracture properties of silicon, is investigated. To pin-point the influence of graphene, fracture properties estimated from molecular dynamics simulations of three different cases in uniaxial tension are compared. In the first case, the fracture properties of silicon alone are estimated in relation to different initial defect sizes. Second, the same simulations are repeated by depositing graphene on the silicon surface. Atomic interactions in the composite structure are modeled using the combined adaptive inter-molecular reactive empirical bond order (AIREBO) and Tersoff potential functions. Improvement of about 780% in the Young's modulus of silicon is achieved after coating with graphene. Furthermore, to study the influence of realistic initial defects in graphene, a third set of simulations is considered by repeating the previous tests but with initial cracks through graphene and silicon. Predictions show that graphene can be highly beneficial in strengthening and repairing micro-cracked silicon to decrease electrical power losses caused by cracks.
AB - The possibility of replacing the conductive gridline deposited on solar cells by highly electrically conductive graphene is opening new perspectives for the future generation of photovoltaics. Besides enhanced electric performance, graphene can also have a role in the resistance of silicon against cracking. Here, the influence of depositing graphene on the silicon surface, on the fracture properties of silicon, is investigated. To pin-point the influence of graphene, fracture properties estimated from molecular dynamics simulations of three different cases in uniaxial tension are compared. In the first case, the fracture properties of silicon alone are estimated in relation to different initial defect sizes. Second, the same simulations are repeated by depositing graphene on the silicon surface. Atomic interactions in the composite structure are modeled using the combined adaptive inter-molecular reactive empirical bond order (AIREBO) and Tersoff potential functions. Improvement of about 780% in the Young's modulus of silicon is achieved after coating with graphene. Furthermore, to study the influence of realistic initial defects in graphene, a third set of simulations is considered by repeating the previous tests but with initial cracks through graphene and silicon. Predictions show that graphene can be highly beneficial in strengthening and repairing micro-cracked silicon to decrease electrical power losses caused by cracks.
KW - graphene
KW - graphene-deposited silicon
KW - molecular dynamics
KW - photovoltaic solar cells
KW - silicon
UR - http://www.scopus.com/inward/record.url?scp=85064247118&partnerID=8YFLogxK
U2 - 10.1002/adts.201800097
DO - 10.1002/adts.201800097
M3 - Article
AN - SCOPUS:85064247118
VL - 1
JO - Advanced Theory and Simulations
JF - Advanced Theory and Simulations
IS - 12
M1 - 1800097
ER -