Novel Ruthenium Complex with Terpyridine Derivative for DSSCs
- Authors
- Chang, Dong Min; Kwon, Dong Yuel; Kim, Young Sik
- Issue Date
- 1-Jan-2013
- Publisher
- TAYLOR & FRANCIS LTD
- Keywords
- Dye-sensitized solar cells (DSSCs); Ruthenium; terpyridine; TD-DFT; DFT
- Citation
- MOLECULAR CRYSTALS AND LIQUID CRYSTALS, v.585, no.1, pp.91 - 99
- Journal Title
- MOLECULAR CRYSTALS AND LIQUID CRYSTALS
- Volume
- 585
- Number
- 1
- Start Page
- 91
- End Page
- 99
- URI
- https://scholarworks.bwise.kr/hongik/handle/2020.sw.hongik/17208
- DOI
- 10.1080/15421406.2013.849524
- ISSN
- 1542-1406
- Abstract
- In this work, we designed and investigated theoretically novel ruthenium(II) complex (Bu4N)[Ru(DMFAdctpy)(NCS)(3)]; (DMFAdctpy : 2-(6-(5-(4-(bis(9,9-dimethyl-9H-fluoren-2-yl)amino)phenyl)pyridin-2-yl)-4-carboxypyridin-2-yl)pyridine-4-carboxylic acid) with DMFAdctpy as an anchoring group and a highly conjugated ancillary ligand to increase absorption ability in the long wavelength region compared to the N3 dye([Ru(dcbpy)(2)(NCS)(2)]); (dcbpy (4,4-dicarboxy-2,2-bipyridine)). The density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations were used to gain insight into the factors responsible for photovoltaic properties as dye sensitizer. The absorption spectrum of these dyes with terpyridine derivative is more red-shifted and broad than that of N3, especially, in the region between 400nm and 650nm. This is attributed to the extension of the -conjugated system of insertion terpyridine ligands. Molecular orbital analysis confirmed that the HOMOs of (Bu4N)[Ru(DMFAdctpy)(NCS)(3)] localized over the NCS ligand orbitals. The LUMO, LUMO+1 and LUMO+2 are mainly localized over the dctpy ligand. However, the LUMO+3 is delocalized on the DMFA moiety. Due to the panchromatic and red-shifted absorption spectrum, these novel ruthenium complexes are expected to good candidates as dye sensitizers for DSSCs.
- Files in This Item
- There are no files associated with this item.
- Appears in
Collections - College of Engineering > Department of Science > 1. Journal Articles
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.