Seite - 69 - in Charge Transport in DNA - Insights from Simulations

CHAPTER5 ChargeTransport inStretchedDNA Reproduced inpartwithpermission from M.Wolter, P.B.Woiczikowski,M.Elstner, andT.Kubarˇ, Phys.Rev.B,85,075101 (2012). Copyright2012by theAmericanPhysical Society. In this chapter themechanically stretchedDNAsequenceswill be tested for their chargetransportcapabilities. Stretchingisacommonfeatureof thesingle-molecule experiments where the current is measured as a function of electrode distance. Simulationsof theCTinthosestretchedDNAmoleculesareable toprovidedeeper insight into theprocesses involved in this experimental setup. Interpretationof the outcome of these experiments is possible based on the shown results. Moreover, choicesof theDNAsequence fornano-electronic applications canbegiven. 5.1 InvestigatedSequencesandStructures Togaindeeper insight into the effect of stretchingon theCT, sevendifferentDNA oligomers are investigated in detail (complementary strand not shown): Three oligomers with purine nucleobases located exclusively on one strand in the cen- 69