Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations

Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations

A quantum chemical investigation has been performed to explore optical and electronic properties of a series of different compounds based π-conjugated molecular materials with fused rings, on imidazo[1,2-a]pyrazines. Different electron-donor side groups as side-chain substituents were introduced in...

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Published in:Functional Materials
Date:2013
Main Authors: Zahlou, A., Chtita, S., Ghamali, M., Bejjit, L., Lakhlifi, T., Bouachrine, Mr.
Format: Article
Language:English
Published: НТК «Інститут монокристалів» НАН України 2013
Subjects:
Characterization and properties
Online Access:https://nasplib.isofts.kiev.ua/handle/123456789/120118
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Journal Title:Digital Library of Periodicals of National Academy of Sciences of Ukraine
Cite this:Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations / A. Zahlou, S. Chtita, M. Ghamali, L. Bejjit, T. Lakhlifi, Mr. Bouachrine // Functional Materials. — 2013. — Т. 20, № 4. — С. 504-509. — Бібліогр.: 15 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine
id nasplib_isofts_kiev_ua-123456789-120118
record_format dspace
spelling Zahlou, A.
Chtita, S.
Ghamali, M.
Bejjit, L.
Lakhlifi, T.
Bouachrine, Mr.
2017-06-11T06:55:52Z
2017-06-11T06:55:52Z
2013
Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations / A. Zahlou, S. Chtita, M. Ghamali, L. Bejjit, T. Lakhlifi, Mr. Bouachrine // Functional Materials. — 2013. — Т. 20, № 4. — С. 504-509. — Бібліогр.: 15 назв. — англ.
1027-5495
dx.doi.org/10.15407/fm20.04.504
https://nasplib.isofts.kiev.ua/handle/123456789/120118
A quantum chemical investigation has been performed to explore optical and electronic properties of a series of different compounds based π-conjugated molecular materials with fused rings, on imidazo[1,2-a]pyrazines. Different electron-donor side groups as side-chain substituents were introduced in molecular backbone to investigate their effects on the electronic structure. The HOMO and LUMO energy levels as well energy gap Eg of the studied compounds have been calculated and reported. The obtained data suggest that studied molecules are good candidates for organic solar cells.
en
НТК «Інститут монокристалів» НАН України
Functional Materials
Characterization and properties
Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations
Article
published earlier
institution Digital Library of Periodicals of National Academy of Sciences of Ukraine
collection DSpace DC
title Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations
spellingShingle Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations
Zahlou, A.
Chtita, S.
Ghamali, M.
Bejjit, L.
Lakhlifi, T.
Bouachrine, Mr.
Characterization and properties
title_short Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations
title_full Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations
title_fullStr Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations
title_full_unstemmed Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations
title_sort electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. computational investigations
author Zahlou, A.
Chtita, S.
Ghamali, M.
Bejjit, L.
Lakhlifi, T.
Bouachrine, Mr.
author_facet Zahlou, A.
Chtita, S.
Ghamali, M.
Bejjit, L.
Lakhlifi, T.
Bouachrine, Mr.
topic Characterization and properties
topic_facet Characterization and properties
publishDate 2013
language English
container_title Functional Materials
publisher НТК «Інститут монокристалів» НАН України
format Article
description A quantum chemical investigation has been performed to explore optical and electronic properties of a series of different compounds based π-conjugated molecular materials with fused rings, on imidazo[1,2-a]pyrazines. Different electron-donor side groups as side-chain substituents were introduced in molecular backbone to investigate their effects on the electronic structure. The HOMO and LUMO energy levels as well energy gap Eg of the studied compounds have been calculated and reported. The obtained data suggest that studied molecules are good candidates for organic solar cells.
issn 1027-5495
url https://nasplib.isofts.kiev.ua/handle/123456789/120118
citation_txt Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations / A. Zahlou, S. Chtita, M. Ghamali, L. Bejjit, T. Lakhlifi, Mr. Bouachrine // Functional Materials. — 2013. — Т. 20, № 4. — С. 504-509. — Бібліогр.: 15 назв. — англ.
work_keys_str_mv AT zahloua electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT chtitas electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT ghamalim electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT bejjitl electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT lakhlifit electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT bouachrinemr electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
first_indexed 2025-12-01T23:02:42Z
last_indexed 2025-12-01T23:02:42Z
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