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Electroluminescence in Molecular Junctions: A Diagrammatic Approach

Goswami, Himangshu Prabal and Hua, Weijie and Zhang, Yu and Mukamel, Shaul and Harbola, Upendra (2015) Electroluminescence in Molecular Junctions: A Diagrammatic Approach. In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11 (9). pp. 4304-4315.

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Official URL: http://dx.doi.org/10.1021/acs.jctc.5b00500


We compute electroluminescent signal in a current carrying single molecule junction using a superoperator formalism. Liouville space loop diagrams are used to identify all density matrix pathways that emit photons via the electroluminescence process. A frequency resolved spectrum is expressed in terms of the various Pock space states of the isolated molecule that participate in the creation and subsequent recombination of exciton. Application is made to a multilevel Coulomb blockade model system and to a gold-benzene-1,4-dithiol-gold molecular junction.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Depositing User: Id for Latest eprints
Date Deposited: 09 Oct 2015 04:33
Last Modified: 09 Oct 2015 04:33
URI: http://eprints.iisc.ac.in/id/eprint/52507

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