Random walk numerical simulation for hopping transport at finite carrier concentrations: diffusion coefficient and transport energy concept
comunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/2507
comunitat-uji-handle3:10234/6973
comunitat-uji-handle4:
INVESTIGACIONMetadades
Títol
Random walk numerical simulation for hopping transport at finite carrier concentrations: diffusion coefficient and transport energy conceptData de publicació
2009Editor
Royal Society of ChemistryISSN
1463-9076Cita bibliogràfica
GONZALEZ-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.Tipus de document
info:eu-repo/semantics/articleVersió de l'editorial
https://pubs.rsc.org/en/content/articlelanding/2009/cp/b912935a#!divAbstractVersió
info:eu-repo/semantics/publishedVersionParaules clau / Matèries
Resum
The 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 ... [+]
The 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 [-]
Publicat a
Physical Chemistry Chemical Physics, 2009, v. 11Drets d'accés
© Royal Society of Chemistry
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