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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| Опубліковано в: : | Functional Materials |
|---|---|
| Дата: | 2013 |
| Автори: | , , , , , |
| Формат: | Стаття |
| Мова: | Англійська |
| Опубліковано: |
НТК «Інститут монокристалів» НАН України
2013
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| Теми: | |
| Онлайн доступ: | https://nasplib.isofts.kiev.ua/handle/123456789/120118 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | 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. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862653309241786368 |
|---|---|
| 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. |
| 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. |
| collection | DSpace DC |
| container_title | 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.
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| first_indexed | 2025-12-01T23:02:42Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-120118 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1027-5495 |
| language | English |
| last_indexed | 2025-12-01T23:02:42Z |
| publishDate | 2013 |
| publisher | НТК «Інститут монокристалів» НАН України |
| 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 |
| 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 | 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_short | 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 |
| topic | Characterization and properties |
| topic_facet | Characterization and properties |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/120118 |
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