Quantum chemical investigation of structural and electronic properties of trans- and cis-structures of some azo dyes for dye-sensitized solar cells

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• 作者：Samaneh Bagheri Novir^a ; ^{samaneh_bn83@yahoo.com} ; ^{sa_bagheri@chem.iust.ac.ir} ; Seyed Majid Hashemianzadeh^b
• 关键词：Dye sensitized solar cells ; Azo dye ; DFT ; TDDFT ; Charge transfer
• 刊名：Computational and Theoretical Chemistry
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：1102
• 期：Complete
• 页码：87-97
• 全文大小：1302 K
• 卷排序：1102

文摘

The effects of different positions of anchoring group were investigated. Some of the key factors affecting the Jsc and Voc of DSSCs have been discussed. The higher Jsc and Voc were estimated for para-dyes. Para-dyes show the best absorption properties.