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Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions

In this study, we investigated the electronic and transport properties of the Vinazene molecular device using the non-equilibrium Green's function (NEGF) formalism combined to the density functional theory (DFT). Transmission spectrum revealed a high tendency of electrons congregate near to the...

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Main Authors: Mohamad, Mazmira, Ahmed, Rashid, Kanoun, Ahmed Ali, Shaari, Amiruddin, Goumri-Said, Souraya
Format: Article
Published: Elsevier Ltd 2016
Subjects:
QC Physics
Online Access:http://eprints.utm.my/id/eprint/69162/
http://dx.doi.org/10.1016/j.solener.2016.10.028
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spelling my.utm.691622017-11-20T08:52:14Z http://eprints.utm.my/id/eprint/69162/ Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions Mohamad, Mazmira Ahmed, Rashid Kanoun, Ahmed Ali Shaari, Amiruddin Goumri-Said, Souraya QC Physics In this study, we investigated the electronic and transport properties of the Vinazene molecular device using the non-equilibrium Green's function (NEGF) formalism combined to the density functional theory (DFT). Transmission spectrum revealed a high tendency of electrons congregate near to the right gold electrode, resulting in an easy electrons transmission from the right gold electrode to the molecule with bias. Similarly, from the density of states calculations, strong electronic interaction between Vinazene molecule and gold electrodes was observed at the molecular junction. The self consistently obtained I-V characteristics curve demonstrated a continuously increase in current with bias as well. Thus, the achieved sinusoidal conductance curve has proven that the transmission channel of the present Vinazene device possessed a steady opening that led to a stable conducting ability of the device. Our calculated efficiency of the Vinazene single molecule solar device, 0.015%, highlights its promise for organic photovoltaic applications. Elsevier Ltd 2016 Article PeerReviewed Mohamad, Mazmira and Ahmed, Rashid and Kanoun, Ahmed Ali and Shaari, Amiruddin and Goumri-Said, Souraya (2016) Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions. Solar Energy, 140 . pp. 124-129. ISSN 0038-092X http://dx.doi.org/10.1016/j.solener.2016.10.028 DOI:10.1016/j.solener.2016.10.028
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
topic QC Physics
spellingShingle QC Physics
Mohamad, Mazmira
Ahmed, Rashid
Kanoun, Ahmed Ali
Shaari, Amiruddin
Goumri-Said, Souraya
Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions
description In this study, we investigated the electronic and transport properties of the Vinazene molecular device using the non-equilibrium Green's function (NEGF) formalism combined to the density functional theory (DFT). Transmission spectrum revealed a high tendency of electrons congregate near to the right gold electrode, resulting in an easy electrons transmission from the right gold electrode to the molecule with bias. Similarly, from the density of states calculations, strong electronic interaction between Vinazene molecule and gold electrodes was observed at the molecular junction. The self consistently obtained I-V characteristics curve demonstrated a continuously increase in current with bias as well. Thus, the achieved sinusoidal conductance curve has proven that the transmission channel of the present Vinazene device possessed a steady opening that led to a stable conducting ability of the device. Our calculated efficiency of the Vinazene single molecule solar device, 0.015%, highlights its promise for organic photovoltaic applications.
format Article
author Mohamad, Mazmira
Ahmed, Rashid
Kanoun, Ahmed Ali
Shaari, Amiruddin
Goumri-Said, Souraya
author_facet Mohamad, Mazmira
Ahmed, Rashid
Kanoun, Ahmed Ali
Shaari, Amiruddin
Goumri-Said, Souraya
author_sort Mohamad, Mazmira
title Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions
title_short Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions
title_full Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions
title_fullStr Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions
title_full_unstemmed Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions
title_sort designing a molecular device for organic solar cell applications based on vinazene: i-v characterization and efficiency predictions
publisher Elsevier Ltd
publishDate 2016
url http://eprints.utm.my/id/eprint/69162/
http://dx.doi.org/10.1016/j.solener.2016.10.028
_version_ 1643656019239239680
score 13.211869

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