Engineering Enhanced Thermoelectric Properties in Zigzag Graphene Nanoribbons

Details Engineering Enhanced Thermoelectric Properties in Zigzag Graphene Nanoribbons Engineering Enhanced Thermoelectric Properties in Zigzag Graphene Nanoribbons

2012-03-09

arxiv.org/abs/1203.2032v1

J. Appl. Phys. 111, 054501 (2012)

Physics

Condensed Matter

Materials Science

27 pages, 11 figures

Scientific paper

10.1063/1.3688034

We theoretically investigate the thermoelectric properties of zigzag graphene nanoribbons in the presence of extended line defects, substrate impurities and edge roughness along the nanoribbon's length. A nearest-neighbor tight-binding model for the electronic structure and a fourth nearest- neighbor force constant model for the phonon bandstructure are used. For transport we employ quantum mechanical non-equilibrium Green's function simulations. Starting from the pristine zigzag nanoribbon structure that exhibits very poor thermoelectric performance, we demonstrate how after a series of engineering design steps the performance can be largely enhanced. Our results could be useful in the design of highly efficient nanostructured graphene nanoribbon based thermoelectric devices.

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