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Journal of Computational Electronics

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13-04-2023

Investigating the photovoltaic performance for Si-doped zigzag graphene nanoribbons using a DFT framework

Authors: Preetika Sharma, Sukhbir Singh, Ravi Mehla, Gaurav Sapra, Shuchi Gupta

Published in: Journal of Computational Electronics | Issue 3/2023

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Abstract

The unique electronic and optical properties of graphene nanoribbons (GNR) make it a potential material in the field of optoelectronics, such as in solar cell and photovoltaic (PV) applications. In this paper, we have demonstrated the effect of silicon (Si) atom doping and alloying in zigzag graphene nanoribbons (ZGNR). The effect of doping concentration and position of substitutional doping are the main criteria for modeling the electronic and optical properties of ZGNR. Doping concentrations of 3.12%, 12.50%, and 50.00% were used. Density functional theory-based calculations were performed to evaluate the geometrical stability, electron density, cohesive energy, quantum conductance, Mulliken population and density of states. Similarly, the optical properties were evaluated by considering the absorption coefficient for each Si-doped ZGNR. Further, the PV performance of each Si-doped ZGNR was analysed by evaluating the power conversion efficiency (PCE) and power density w.r.t. length and weight. Our results reveal that the Si atom shows stable bonding with the C atom of ZGNR and enhances the quantum conductance by 1.332 times. A significant enhancement in the absorption on the order of 10⁴ times in comparison to pristine ZGNR over the UV and visible range is also observed. More significantly, the PV performance shows ~ 3 X 10² and ~ 5 X 10² times higher power density in comparison to GaAs and Si, respectively, and 1.14 times higher than graphene sheet. Finally, our work has broad application in designing a ZGNR-based solar cell with PV device performance.

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See http://www.solexel.com and http://www.appliednanotech. net/news/130103_Solexel_Achievement.php

Title: Investigating the photovoltaic performance for Si-doped zigzag graphene nanoribbons using a DFT framework
Authors: Preetika Sharma
Sukhbir Singh
Ravi Mehla
Gaurav Sapra
Shuchi Gupta
Publication date: 13-04-2023
Publisher: Springer US
Published in: Journal of Computational Electronics / Issue 3/2023
Print ISSN: 1569-8025
Electronic ISSN: 1572-8137
DOI: https://doi.org/10.1007/s10825-023-02029-5

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Investigating the photovoltaic performance for Si-doped zigzag graphene nanoribbons using a DFT framework

Abstract

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Abstract

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Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Springer Professional "Technik"

Springer Professional "Wirtschaft"

Digital-to-analog converter implementation based on silicon nanowire FET

A performance evaluation of a novel field-effect device as an alternative to the field-effect diode

Ternary RCS reduction metasurface based on a parallel resonance circuit

Effect of introducing Al2O3 as a tunnelling layer into p-CBTS/n-CdS heterojunction solar cells

Tunable optical filter with high performance based on 2D photonic crystal

Highly efficient Cd-Free ZnMgO/CIGS solar cells via effective band-gap tuning strategy