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...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Published: |
Elsevier Ltd
2016
|
| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/71523/ https://www.scopus.com/inward/record.uri?eid=2-s2.0-84994639317&doi=10.1016%2fj.solener.2016.10.028&partnerID=40&md5=fa5c8623b4d359145544757bfef53cde |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| id |
my.utm.71523 |
|---|---|
| record_format |
eprints |
| spelling |
my.utm.715232017-11-14T06:54:37Z http://eprints.utm.my/id/eprint/71523/ Designing a molecular device for organic solar cell applications based on Vinazene: I-V characterization and efficiency predictions Mohamad, M. Ahmed, R. Kanoun, A. A. Shaari, A. Goumri-Said, S. 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, M. and Ahmed, R. and Kanoun, A. A. and Shaari, A. and Goumri-Said, S. (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 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84994639317&doi=10.1016%2fj.solener.2016.10.028&partnerID=40&md5=fa5c8623b4d359145544757bfef53cde |
| 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, M. Ahmed, R. Kanoun, A. A. Shaari, A. Goumri-Said, S. 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, M. Ahmed, R. Kanoun, A. A. Shaari, A. Goumri-Said, S. |
| author_facet |
Mohamad, M. Ahmed, R. Kanoun, A. A. Shaari, A. Goumri-Said, S. |
| author_sort |
Mohamad, M. |
| 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/71523/ https://www.scopus.com/inward/record.uri?eid=2-s2.0-84994639317&doi=10.1016%2fj.solener.2016.10.028&partnerID=40&md5=fa5c8623b4d359145544757bfef53cde |
| _version_ |
1643656205160153088 |
| score |
13.211869 |