Calculation of transient CIDEP spectra of spin-correlated radical pairs in nanotubes.

N. N. Lukzen, K. L. Ivanov, V. A. Morozov, Daniel Kattnig, Günter Grampp

Research output: Contribution to journalArticlepeer-review

Abstract

The chemically induced dynamic electron polarization (CIDEP) formed by spin-correlated radical pairs in nanotubes is studied theoretically. Numerical solutions of the stochastic Liouville equation of the density operator are obtained by finite-difference methods. The nanotube is modelled as a one-dimensional nanoreactor with the relative motion of the radicals assumed to be free diffusion. The effect of the non-averaged dipole–dipole interaction of the electron spins on the CIDEP formation is studied in detail. Furthermore, the influence of the radical mobility and the nanotube orientation with respect to the external magnetic field are elucidated.
Original languageEnglish
Pages (from-to)75-84
JournalChemical Physics
Volume328
Issue number1-3
DOIs
Publication statusPublished - 2006

Treatment code (Nähere Zuordnung)

  • Basic - Fundamental (Grundlagenforschung)
  • Theoretical

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