ABSORPTION SPECTRA AND ELECTRON INJECTION STUDY OF THE DONOR BRIDGE ACCEPTOR SENSITIZERS BY LONG RANGE CORRECTED FUNCTIONAL

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AHMAD IRFAN

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Journal Paper

Paper Information

Journal: Iranian Journal of Chemistry and Chemical Engineering Year:2014 | Volume:33 | Issue:2 Page(s): 11-28

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Information Journal Paper

Title

ABSORPTION SPECTRA AND ELECTRON INJECTION STUDY OF THE DONOR BRIDGE ACCEPTOR SENSITIZERS BY LONG RANGE CORRECTED FUNCTIONAL

Author(s)

AHMAD IRFAN | Issue Writer Certificate

Keywords

DYE-SENSITIZED SOLAR CELLS

ABSORPTION

LIGHT HARVESTING EFFICIENCY

ELECTRONIC COUPLING CONSTANT

ELECTRON INJECTION

Abstract

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-BLYP level of theory. The Polarizable Continuum Model (PCM) has been used for evaluating bulk solvent effects at all stages. The efficient materials have been predicted and ELECTRON INJECTION (ΔGinject), electron coupling constant (|VRP|) and LIGHT HARVESTING EFFICIENCY (LHE) has been discussed. By elongating the bridge all these three parameters ΔGinject, |VRP| and LHE enhanced which revealed that new designed sensitizers would be efficient.

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APA: Copy

AHMAD, IRFAN. (2014). ABSORPTION SPECTRA AND ELECTRON INJECTION STUDY OF THE DONOR BRIDGE ACCEPTOR SENSITIZERS BY LONG RANGE CORRECTED FUNCTIONAL. IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE), 33(2), 11-28. SID. https://sid.ir/paper/631740/en

Vancouver: Copy

AHMAD IRFAN. ABSORPTION SPECTRA AND ELECTRON INJECTION STUDY OF THE DONOR BRIDGE ACCEPTOR SENSITIZERS BY LONG RANGE CORRECTED FUNCTIONAL. IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE)[Internet]. 2014;33(2):11-28. Available from: https://sid.ir/paper/631740/en

IEEE: Copy

IRFAN AHMAD, “ABSORPTION SPECTRA AND ELECTRON INJECTION STUDY OF THE DONOR BRIDGE ACCEPTOR SENSITIZERS BY LONG RANGE CORRECTED FUNCTIONAL,” IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE), vol. 33, no. 2, pp. 11–28, 2014, [Online]. Available: https://sid.ir/paper/631740/en

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