Thermal conductance and thermoelectric figure of merit of C60-based single-molecule junctions: Electrons, phonons, and photons

Abstract

Motivated by recent experiments, we present here an ab initio study of the impact of the phonon transport on the thermal conductance and thermoelectric figure of merit of C60-based single-molecule junctions. To be precise, we combine density functional theory with nonequilibrium Green’s-function techniques to compute these two quantities in junctions with… (More)

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Cite this paper

@inproceedings{Klckner2017ThermalCA, title={Thermal conductance and thermoelectric figure of merit of C60-based single-molecule junctions: Electrons, phonons, and photons}, author={Jan C Kl{\"{o}ckner and R. Siebler and Juan Carlos Cuevas and Fabian Pauly}, year={2017} }