MODELAGEM MOLECULAR DE COPOLÍMEROS ACEITADORES E DOADORES DE ELÉTRONS
With the discovery that some polymers could conduct electricity there was a strong demand for new systems that could reproduce or improve the properties of metallic materials, mainly for ease of synthesis, lower cost, and lightness. Currently, more than 85% of the world produc...
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| Format: | Article |
| Language: | English |
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Universidade Federal do Tocantins
2017-02-01
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| Series: | Desafios |
| Subjects: | |
| Online Access: | https://sistemas.uft.edu.br/periodicos/index.php/desafios/article/view/3257/9523 |
| _version_ | 1818214900338524160 |
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| author | Flavio Filho Martins Reis Liliana Yolanda Ancalla Dávila Nilo Mauricio Sotomayor Choque |
| author_facet | Flavio Filho Martins Reis Liliana Yolanda Ancalla Dávila Nilo Mauricio Sotomayor Choque |
| author_sort | Flavio Filho Martins Reis |
| collection | DOAJ |
| description | With the discovery that some polymers could conduct electricity there was a strong demand for new systems that could reproduce or improve the properties of metallic materials, mainly for ease of synthesis, lower cost, and lightness. Currently, more than 85% of the world production of photovoltaic cells involves the use of crystalline silicon. The introduction of new organic materials with donor and acceptor characteristics has been used to improve the gap properties of the materials. Copolymers formed from benzothiadiazole, fluorene and thiophene with promising photovoltaic properties were theoretically studied. The energetic, structural, electronic and optical properties were obtained with the semi-empirical AM1 method and the optical properties were obtained with the ZINDO semi-empirical method. It is observed from the theoretical study that the electronic and optical properties of the molecules improve when combined the donor and acceptor molecule of electrons. |
| first_indexed | 2024-12-12T06:27:32Z |
| format | Article |
| id | doaj.art-2ea8e50fbf2044d1ac4969f24b417e1d |
| institution | Directory Open Access Journal |
| issn | 2359-3652 2359-3652 |
| language | English |
| last_indexed | 2024-12-12T06:27:32Z |
| publishDate | 2017-02-01 |
| publisher | Universidade Federal do Tocantins |
| record_format | Article |
| series | Desafios |
| spelling | doaj.art-2ea8e50fbf2044d1ac4969f24b417e1d2022-12-22T00:34:42ZengUniversidade Federal do TocantinsDesafios2359-36522359-36522017-02-013esp10511010.20873/uft.2359-3652.2016v3nespp105MODELAGEM MOLECULAR DE COPOLÍMEROS ACEITADORES E DOADORES DE ELÉTRONSFlavio Filho Martins Reis0Liliana Yolanda Ancalla DávilaNilo Mauricio Sotomayor Choque1Universidade Federal do TocantinsUFTWith the discovery that some polymers could conduct electricity there was a strong demand for new systems that could reproduce or improve the properties of metallic materials, mainly for ease of synthesis, lower cost, and lightness. Currently, more than 85% of the world production of photovoltaic cells involves the use of crystalline silicon. The introduction of new organic materials with donor and acceptor characteristics has been used to improve the gap properties of the materials. Copolymers formed from benzothiadiazole, fluorene and thiophene with promising photovoltaic properties were theoretically studied. The energetic, structural, electronic and optical properties were obtained with the semi-empirical AM1 method and the optical properties were obtained with the ZINDO semi-empirical method. It is observed from the theoretical study that the electronic and optical properties of the molecules improve when combined the donor and acceptor molecule of electrons.https://sistemas.uft.edu.br/periodicos/index.php/desafios/article/view/3257/9523Organic polymersPhotovoltaic cellsHartree-Fock |
| spellingShingle | Flavio Filho Martins Reis Liliana Yolanda Ancalla Dávila Nilo Mauricio Sotomayor Choque MODELAGEM MOLECULAR DE COPOLÍMEROS ACEITADORES E DOADORES DE ELÉTRONS Desafios Organic polymers Photovoltaic cells Hartree-Fock |
| title | MODELAGEM MOLECULAR DE COPOLÍMEROS ACEITADORES E DOADORES DE ELÉTRONS |
| title_full | MODELAGEM MOLECULAR DE COPOLÍMEROS ACEITADORES E DOADORES DE ELÉTRONS |
| title_fullStr | MODELAGEM MOLECULAR DE COPOLÍMEROS ACEITADORES E DOADORES DE ELÉTRONS |
| title_full_unstemmed | MODELAGEM MOLECULAR DE COPOLÍMEROS ACEITADORES E DOADORES DE ELÉTRONS |
| title_short | MODELAGEM MOLECULAR DE COPOLÍMEROS ACEITADORES E DOADORES DE ELÉTRONS |
| title_sort | modelagem molecular de copolimeros aceitadores e doadores de eletrons |
| topic | Organic polymers Photovoltaic cells Hartree-Fock |
| url | https://sistemas.uft.edu.br/periodicos/index.php/desafios/article/view/3257/9523 |
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