Expand this Topic clickable element to expand a topic
Skip to content
Optica Publishing Group

How to Design More Efficient Organic Dyes for Dye-Sensitized Solar Cells? Adding more sp2-Hybridized Nitrogen in the Triphenylamine Donor

Not Accessible

Your library or personal account may give you access

Abstract

One of the most significant aspects in the development of dye-sensitized solar cells (DSCs) is the exploration and design of high-efficiency and low-cost dyes. In the present paper, we have reported a theoretical design of potential high-efficiency organic dyes with modified triphenylamine donors, using time-dependent density functional theory with the CAM-B3LYP method. The CAM-B3LYP method is first validated to have very good performance in the descriptions of spectral properties of C214 and C216 dyes. With C214 as a prototype, molecular modifications are then made and a scheme, using NH groups to connect neighboring phenyls in the triphenylamine donor, has been demonstrated to be successful to significantly red-shift the absorption maximum wavelength, extend the lifetime of the first excited state, and decrease the energy gap between HOMO and LUMO. In particular, the change amounts of these properties are illustrated to be dependent on the number of the added nitrogens, a significant finding that may perhaps make it possible to quantificationally regulate properties of organic sensitizers to match diverse requirements in the building of a high-efficiency DSC. The complementary nitrogens have been characterized to be sp2-hybridized and shown to play an important role in assisting in charge transfer.

© 2013 Optical Society of America

PDF Article
More Like This
Effects of Different Acceptors in Triphenylamine-based Organic Dye-sensitized Solar Cells

Guohua Wu, Fantai Kong, Jingzhe Li, and Songyuan Dai
ASa3A.42 Advanced Optoelectronics for Energy and Environment (AOEE) 2013

Theoretical Studies on Organic Dyes for Dye-Sensitized Solar Cells

Hongyan Zhou and Ze-sheng Li
ASa3A.26 Advanced Optoelectronics for Energy and Environment (AOEE) 2013

The effects of various anchoring groups on optical and electronic properties of dyes in dye-sensitized solar cells

Ze-Sheng Li and Li-Na Yang
ASu1A.4 Advanced Optoelectronics for Energy and Environment (AOEE) 2013

Select as filters


Select Topics Cancel
© Copyright 2022 | Optica Publishing Group. All Rights Reserved