Dresden 2020 – wissenschaftliches Programm
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TT 10.2: Vortrag
Montag, 16. März 2020, 11:45–12:00, HSZ 204
Transport properties and Thermoelectric figure of Merit of CNT peapods — •Alvaro Rodriguez1,2, Arezoo Dianat1, Rafael Gutierrez1, Leonardo Medrano3, and Gianaurelio Cuniberti1 — 1Institute for Materials Science and Max Bergmann Center of Biomaterials, Tu Dresden, 01062 Dresden, Germany. — 2Max Planck Institute for Complex Systems, 01187 Dresden, Germany. — 3Physics and Materials Science Research Unit, University of Luxembourg, L-1511 Luxembourg.
The ability to control the electrical and thermal response in nanoscale systems represents a fundamental challenge towards the optimization of the thermoelectric figure of merit. Recent experimental studies have addressed the electrical and thermal conductivity of so called carbon nanotube (CNT) peapods, where C60 or larger fullerenes are encapsulated in carbon nanotubes. The reported results showed some discrepancies regarding the transport properties, suggesting either a positive or a negative effect of the fullerenes. In our computational study, we address this issue by combining electronic and vibrational structure calculations with quantum transport methods based on Green’s functions to investigate the electrical, thermal and thermoelectric response of C60@(8,8) CNT peapod system. We were able to calibrate the contribution of local structural deformations of the CNT surface due to the fullerene insertion; especially, we found a considerable suppression of thermal transport at low frequencies, similar to the effect found using silicon nanopillars in other nanostructures. We discuss the changes in the thermoelectric figure of merit when comparing to a pure CNT.