文章基本信息

标题：Theoretical Studies Of Photovoltaic Properties For Design Of New Azo-Pyrrole Photo-Sensitizer Materials As Dyes In Solar Cells
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作者：Ninis O. ; Ninis O. ; Kacimi R. 等
期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2017
卷号：8
期号：7
页码：2572-2578
出版社：University of Mohammed Premier Oujda
摘要：Since the pyrrole derivatives are actively studied in connection with several application areas in optic and electronic, we aim to investigate new Azo-Pyrrole as useful photovoltaic sensitizer materials. Thus, DFT study was reported upon three compounds (APS, APC1, APC2). We present materials with low gap (Eg 0.75) and maximal absorption λmax from 410 nm to 480 nm. In fact, this method constitutes a good approximation to characterize the dye molecules and gives helpful findings for the design of new dyes.
关键词：Dye Sensitized Solar Cells; Photovoltaic properties; π;Conjugated compounds; Time Dependant Density Functional Theory