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A high-light-harvesting-efficiency of NKX-2593 and NKX-2883 Coumarin dyes in a local electric field: Can a local electric field enhance dye sensitizer solar cells efficiently?

Paper ID Volume ID Publish Year Pages File Format Full-Text
26678 43970 2011 11 PDF Available
Title
A high-light-harvesting-efficiency of NKX-2593 and NKX-2883 Coumarin dyes in a local electric field: Can a local electric field enhance dye sensitizer solar cells efficiently?
Abstract

The electronic structures and optical absorption spectra of organic dye sensitizers NKX-2593 and NKX-2883 were studied by using density functional theory (DFT), and the vertical excitation energies were calculated within the framework of the time-dependent DFT (TD-DFT) approach both in the gas phase and in ethanol solution. The solvent effects provide changes in both the geometries and the absorption spectra. Electric fields influence any process or transition that involves charge transfer, as a result of Stark effect. Stark spectroscopy is a general expression describing the study of spectral changes in electric fields, and it has been verified to be a broadly functional approach for characterizing the change in dipole moment and polarizability for electronic transitions. The results of this work show that field application, parallel to the dipole moment, can be very effective to increase DSSC efficiency. Our results open the possibility of computationally screening the various predictions on the electronic structure, optical response and in consequence their influences on the efficiency, thus paving the way to an effective molecular engineering of further enhanced sensitizers for solar cell applications.

► Field application in proper direction can lead to a change in the absorption spectrum. ► PBE1PBE and MPW1PW91 are suitable for calculating maximum absorption spectra of dyes. ► NBO analysis provides a direct insight into the π-conjugation strength of dyes.

Keywords
Dye-sensitizer solar cell; Time-dependent density functional theory; Coumarin dye; Electric field; Electronic structure; Organic dye
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A high-light-harvesting-efficiency of NKX-2593 and NKX-2883 Coumarin dyes in a local electric field: Can a local electric field enhance dye sensitizer solar cells efficiently?
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 225, Issue 1, 1 December 2011, Pages 95–105
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us