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 |
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| Date: | 2013 |
| Main Authors: | , , , , , |
| Format: | Article |
| Language: | English |
| Published: |
НТК «Інститут монокристалів» НАН України
2013
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| Subjects: | |
| 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| Summary: | 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.
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| ISSN: | 1027-5495 |