Charge carrier motion in disordered conjugated polymers: a multiscale Ab initio study.

Abstract

We developed an ab initio multiscale method for simulation of carrier transport in large disordered systems, based on direct calculation of electronic states and electron-phonon coupling constants. It enabled us to obtain the never seen before rich microscopic details of carrier motion in conjugated polymers, which led us to question several assumptions of… (More)
DOI: 10.1021/nl9021539

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Cite this paper

@article{Vukmirovic2009ChargeCM, title={Charge carrier motion in disordered conjugated polymers: a multiscale Ab initio study.}, author={Nenad Vukmirovic and Lin-Wang Wang}, journal={Nano letters}, year={2009}, volume={9 12}, pages={3996-4000} }