Published in

American Institute of Physics, Applied Physics Letters, 14(102), p. 143101

DOI: 10.1063/1.4800777

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Electronic and thermoelectric properties of assembled graphene nanoribbons with elastic strain and structural dislocation

Journal article published in 2013 by Liangbo Liang ORCID, Vincent Meunier ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Graphene nanowiggles (GNWs) are one-dimensional wiggle edged graphene nanoribbons (GNRs) that have been synthesized using an atomically precise bottom-up approach. They are known to possess superior thermoelectric properties compared to straight GNRs. Here, first-principles density functional theory calculations establish that these properties can be further enhanced when they undergo a structural dislocation. While such plastic deformation raises the figure of merit ZT above 1 at room temperature, an elastic deformation under uniaxial tension does not increase ZT. The calculations also show that the GNWs possess a Young's modulus (0.82 TPa) smaller than that of their straight GNR counterparts (1.08 TPa).