Absorption Spectra and Electron Injection Study of the Donor Bridge Acceptor Sensitizers by Long Range Corrected Functional

Absorption Spectra and Electron Injection Study of the Donor Bridge Acceptor Sensitizers by Long Range Corrected Functional

Ground state geometries have been computed using Density Functional Theory (DFT) at B3LYP/6-31G(d,p) level of theory. The excitation energies and spectroscopic parameters have been computed using Long range Corrected (LC) hybrid functional by Time Dependent Density Functional Theory (TDDFT) with LC-...

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Bibliographic Details
Main Author: Ahmad Irfan
Format: Article
Language:English
Published: Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR 2014-06-01
Series:Iranian Journal of Chemistry & Chemical Engineering
Subjects:
dye-sensitized solar cells
absorption
light harvesting efficiency
electronic coupling constant
electron injection
Online Access:http://www.ijcce.ac.ir/article_10748_49989d3332d531dd5d92f582912e971a.pdf

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