DFT theoretical investigations of π-conjugated molecules based on thienopyrazine and different acceptor moieties for organic photovoltaic cells
نویسندگان
چکیده
منابع مشابه
The DFT chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules
The research in the short-chain organic -conjugated molecules has become one of the most interesting topics in the fields of chemistry. These compounds have become the most promising materials for the optoelectronic device technology. The use of low band gap materials is a viable method for better harvesting of the solar spectrum and increasing its efficiency. The control of the band gap of th...
متن کاملDFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells
BACKGROUND Novel six organic donor-π-acceptor molecules (D-π-A) used for Bulk Heterojunction organic solar cells (BHJ), based on thienopyrazine were studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) approaches, to shed light on how the π-conjugation order influence the performance of the solar cells. The electron acceptor group was 2-cyanoacrylic for all compounds, wher...
متن کاملthe dft chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules
the research in the short-chain organic -conjugated molecules has become one of the most interesting topics in the fields of chemistry. these compounds have become the most promising materials for the optoelectronic device technology. the use of low band gap materials is a viable method for better harvesting of the solar spectrum and increasing its efficiency. the control of the band gap of th...
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The research in new organic π-conjugated molecules with specific properties has become one of the most interesting topics in fields of materials chemistry. These materials are promising for optoelectronic device technology such as solar cells. On the other hand, the use of low band gap materials is a viable method for better harvesting of the solar spectrum and increasing its efficiency. The Co...
متن کاملQuantum Chemical Investigation of the Photovoltaic Properties of Conjugated Molecules Based Oligothiophene and Carbazole
The research in the organic π-conjugated molecules and polymers based on thiophenehas become one of the most interesting topics in the field of chemistry physics and materials science. These compounds have become the most promising materials for the optoelectronic device technology.. The use of low band gap materials is a viable method for better harvesting of the solar spectrum and increasing ...
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ژورنال
عنوان ژورنال: Journal of Saudi Chemical Society
سال: 2016
ISSN: 1319-6103
DOI: 10.1016/j.jscs.2013.01.003