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dc.contributor.authorGonzález Vázquez, J. P.
dc.contributor.authorAnta, Juan A.
dc.contributor.authorBisquert, Juan
dc.date.accessioned2011-06-10T07:06:11Z
dc.date.available2011-06-10T07:06:11Z
dc.date.issued2009
dc.identifier.citationGONZALEZ-VAZQUEZ, J. P.; ANTA, Juan A.; BISQUERT, Juan. Random walk numerical simulation for hopping transport at finite carrier concentrations: diffusion coefficient and transport energy concept. Physical Chemistry Chemical Physics, 2009, vol. 11, no 44, p. 10359-10367.
dc.identifier.issn1463-9076
dc.identifier.urihttp://hdl.handle.net/10234/23131
dc.description.abstractThe random walk numerical simulation (RWNS) method is used to compute diffusion coefficients for hopping transport in a fully disordered medium at finite carrier concentrations. We use Miller–Abrahams jumping rates and an exponential distribution of energies to compute the hopping times in the random walk simulation. The computed diffusion coefficient shows an exponential dependence with respect to Fermi-level and Arrhenius behavior with respect to temperature. This result indicates that there is a well-defined transport level implicit to the system dynamics. To establish the origin of this transport level we construct histograms to monitor the energies of the most visited sites. In addition, we construct ‘‘corrected’’ histograms where backward moves are removed. Since these moves do not contribute to transport, these histograms provide a better estimation of the effective transport level energy. The analysis of this concept in connection with the Fermi-level dependence of the diffusion coefficient and the regime of interest for the functioning of dye-sensitised solar cells is thoroughly discussed
dc.format.extent7 p.
dc.language.isoeng
dc.publisherRoyal Society of Chemistry
dc.relation.isPartOfPhysical Chemistry Chemical Physics, 2009, v. 11
dc.rights© Royal Society of Chemistry
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/*
dc.subjectRandom walk numerical simulation
dc.subjectTransport level energy
dc.titleRandom walk numerical simulation for hopping transport at finite carrier concentrations: diffusion coefficient and transport energy concept
dc.typeinfo:eu-repo/semantics/article
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.relation.publisherVersionhttps://pubs.rsc.org/en/content/articlelanding/2009/cp/b912935a#!divAbstract
dc.type.versioninfo:eu-repo/semantics/publishedVersion


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