Theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells

Theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells

In this paper semiempirical quantum chemical methods were used to optimize the ge- ometry and to calculate the LUMO level of different fullerene derivatives used as electron acceptors in bulk heterojunction solar cells. The calculated LUMO levels were successfully correlated with the open circui...

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Autores principales: Bobeico, Eugenia, Morvillo, P
Formato: article
Lenguaje:EN
Publicado: D.Ghitu Institute of Electronic Engineering and Nanotechnologies 2009
Materias:
Physics
QC1-999
Electronics
TK7800-8360
Acceso en línea:https://doaj.org/article/89b8a1764b9545fe92fd5b5d985c998f
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spelling oai:doaj.org-article:89b8a1764b9545fe92fd5b5d985c998f2021-11-21T12:05:33ZTheoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells 2537-63651810-648Xhttps://doaj.org/article/89b8a1764b9545fe92fd5b5d985c998f2009-05-01T00:00:00Zhttps://mjps.nanotech.md/archive/2009/article/4135https://doaj.org/toc/1810-648Xhttps://doaj.org/toc/2537-6365In this paper semiempirical quantum chemical methods were used to optimize the ge- ometry and to calculate the LUMO level of different fullerene derivatives used as electron acceptors in bulk heterojunction solar cells. The calculated LUMO levels were successfully correlated with the open circuit voltage of devices realized using poly[2-methoxy-5-(3,7- dimethyloctyloxy)]–1,4-phenylenevinylene as electron donor, showing the possibility to use a theoretical approach to design new acceptor molecules. Bobeico, EugeniaMorvillo, PD.Ghitu Institute of Electronic Engineering and NanotechnologiesarticlePhysicsQC1-999ElectronicsTK7800-8360ENMoldavian Journal of the Physical Sciences, Vol 8, Iss 2, Pp 250-255 (2009)
institution DOAJ
collection DOAJ
language EN
topic Physics
QC1-999
Electronics
TK7800-8360
spellingShingle Physics
QC1-999
Electronics
TK7800-8360
Bobeico, Eugenia
Morvillo, P
Theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells
description In this paper semiempirical quantum chemical methods were used to optimize the ge- ometry and to calculate the LUMO level of different fullerene derivatives used as electron acceptors in bulk heterojunction solar cells. The calculated LUMO levels were successfully correlated with the open circuit voltage of devices realized using poly[2-methoxy-5-(3,7- dimethyloctyloxy)]–1,4-phenylenevinylene as electron donor, showing the possibility to use a theoretical approach to design new acceptor molecules.
format article
author Bobeico, Eugenia
Morvillo, P
author_facet Bobeico, Eugenia
Morvillo, P
author_sort Bobeico, Eugenia
title Theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells
title_short Theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells
title_full Theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells
title_fullStr Theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells
title_full_unstemmed Theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells
title_sort theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells
publisher D.Ghitu Institute of Electronic Engineering and Nanotechnologies
publishDate 2009
url https://doaj.org/article/89b8a1764b9545fe92fd5b5d985c998f
work_keys_str_mv AT bobeicoeugenia theoreticaldesignoffullerenederivativesaselectronacceptorsforbulkheterojunctionsolarcells
AT morvillop theoreticaldesignoffullerenederivativesaselectronacceptorsforbulkheterojunctionsolarcells
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