Electroluminescence in Molecular Junctions: A Diagrammatic Approach
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- 作者：Himangshu Prabal Goswami ; Weijie Hua ; Yu Zhang ; Shaul Mukamel ; Upendra Harbola
- 刊名：Journal of Chemical Theory and Computation
- 出版年：2015
- 出版时间：September 8, 2015
- 年：2015
- 卷：11
- 期：9
- 页码：4304-4315
- 全文大小：525K
- ISSN：1549-9626
文摘
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 Fock 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鈥揵enzene-1,4-dithiol鈥揼old molecular junction.