Hole mobility and transport mechanisms in lambda-DNA
2009 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 131, no 15, 155102- p.Article in journal (Refereed) Published
We have performed a study of charge transport in lambda-DNA using a recently developed model based on Marcus theory and dynamic Monte Carlo simulations. The model accounts for charge delocalization over multiple adjacent identical nucleobases. Such delocalized states are found to act as traps for charge transport and therefore have a negative impact on the charge carrier (hole) mobility. Both the electric field and temperature dependence of the mobility in lambda-DNA is reported in this paper. Furthermore, the detailed information produced by the simulation allow us to plot the progress of a hole propagating through the DNA sequence and this is used to identify the bottlenecks that limits the charge transport process.
Place, publisher, year, edition, pages
2009. Vol. 131, no 15, 155102- p.
IdentifiersURN: urn:nbn:se:liu:diva-51773DOI: 10.1063/1.3244677OAI: oai:DiVA.org:liu-51773DiVA: diva2:277380