标题：New innovation in renewable energy provided by the organic solar cells based on 3-aryl-4-hydroxyquinolin-2-(1H)-one. Correlation-Structure/electronic properties
期刊名称：International Journal of Innovative Research in Science, Engineering and Technology
印刷版ISSN：2347-6710
电子版ISSN：2319-8753
出版年度：2013
卷号：2
期号：12
页码：8061
出版社：S&S Publications
摘要：Fatty acid synthase (FAS), an essential enzyme for de novo lipogenesis, has been implicated in a number o f disease states, including obesity, dyslipidemia and cancer. The research in new pi-co njugated molecules with specific applications has become one of the most interesting top ics in the fields of chemical physics and materials science. The use of low band gap materials is a viable method for a better harvesting of the solar spectrum and an improved raise of its efficiency. The control of this parameter of these materials is a research issue of ongoing interest. In this work a quantum chemical investigation has been performed to explore the optical and electronic properties of a series of different compounds based on 3-aryl-4-hydroxyquinolin-2-(1H)-one. Different electron side groups were introduced to investigate their effects on the electronic structure. The theoretical kno wled ge of the HOMO and LUMO energy levels of the components is basic in studying organic solar cells so the H OMO, LUMO and energy Gap of the studied compounds have been calculated and reported. These properties suggest these materials as good candidates for organic solar cells.
关键词：Conjugated molecules; Organic solar cells; DFT; Low band -gap; Electronic properties.
