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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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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
Series:Functional Materials
Subjects:
Characterization and properties
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/120118
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spelling irk-123456789-1201182017-06-12T03:02:31Z 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 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. 2013 Article 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 http://dspace.nbuv.gov.ua/handle/123456789/120118 en Functional Materials НТК «Інститут монокристалів» НАН України
institution Digital Library of Periodicals of National Academy of Sciences of Ukraine
collection DSpace DC
language English
topic Characterization and properties
Characterization and properties
spellingShingle Characterization and properties
Characterization and properties
Zahlou, A.
Chtita, S.
Ghamali, M.
Bejjit, L.
Lakhlifi, T.
Bouachrine, Mr.
Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations
Functional Materials
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.
format Article
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.
author_sort Zahlou, A.
title Electronic and photovoltaic properties of new materials based on imidazo[1,2-a]pyrazine. Computational investigations
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
publisher НТК «Інститут монокристалів» НАН України
publishDate 2013
topic_facet Characterization and properties
url http://dspace.nbuv.gov.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.
series Functional Materials
work_keys_str_mv AT zahloua electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT chtitas electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT ghamalim electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT bejjitl electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT lakhlifit electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
AT bouachrinemr electronicandphotovoltaicpropertiesofnewmaterialsbasedonimidazo12apyrazinecomputationalinvestigations
first_indexed 2023-10-18T20:36:15Z
last_indexed 2023-10-18T20:36:15Z
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