2016
DOI: 10.1063/1.4944468
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Simple model of a coherent molecular photocell

Abstract: Articles you may be interested inReuse of AIP Publishing content is subject to the terms: https://publishing.aip.org/authors/rights-and-permissions. Electron transport in molecular electronic devices is often dominated by a coherent mechanism in which the wave function extends from the left contact over the molecule to the right contact. If the device is exposed to light, photon absorption in the molecule might occur, turning the device into a molecular photocell. The photon absorption promotes an electron to … Show more

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Cited by 13 publications
(16 citation statements)
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“…The conventional SSP method 51,52,63,77,[93][94][95][96][97][98][99][100] assumes a tight-binding (Hückel) representation for the whole device. In our recent reformulation, 73 we define scattering wavefunctions in source (L) and in sink (R) leads as…”
Section: The Uncorrelated Ssp Methodsmentioning
confidence: 99%
“…The conventional SSP method 51,52,63,77,[93][94][95][96][97][98][99][100] assumes a tight-binding (Hückel) representation for the whole device. In our recent reformulation, 73 we define scattering wavefunctions in source (L) and in sink (R) leads as…”
Section: The Uncorrelated Ssp Methodsmentioning
confidence: 99%
“…One successful model of this type is the Source-and-Sink-potential (SSP) model proposed and developed by Ernzerhof and co-workers in tandem with their DFT approach to an a priori calculation of conduction [35][36][37][38][39][40][41][42][43][44][45][46][47][48][49][50][51][52][53][54]. The SSP approach replaces the doubly infinite system of molecule and leads by the finite system of a molecule dressed with a source and a sink pseudo atom equipped with complex potentials, hence in the tight-binding model replacing an (n + ∞) × (n + ∞) matrix problem by an (n + 2) × (n + 2) problem [40,55].…”
Section: Introductionmentioning
confidence: 99%
“…The operation of the molecular photo-cell has emerged as a rich theoretical problem, combining both fundamental understanding of quantum transport and relevance to possible applications. [11][12][13][14][15][16][17] The coupling of electronic degrees of freedom with the internal vibrations of the molecule may play a decisive role in charge transport though the molecular junction [18][19][20][21][22][23] . Analogous to the double slit experiment, in an electron only picture different pathways available for electron transfer in the molecular junctions interfere destructively to result in a small output current.…”
Section: Introductionmentioning
confidence: 99%