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Thermoelectric properties of doped graphene nanoribbons: density functional theory calculations and electrical transport
Univ Damghan, Iran.
Univ Guilan, Iran; Islamic Azad Univ, Iran.
TOBB Univ Econ & Technol, Turkey.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
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2022 (English)In: RSC Advances, E-ISSN 2046-2069, Vol. 12, no 10, p. 6174-6180Article in journal (Refereed) Published
Abstract [en]

We present a detailed study on band structure-dependent properties such as electrical conductivity, the charge of carriers and Seebeck coefficients of graphene nano-ribbons (GNRs) doped with the magnetic impurities Fe and Co since the spin thermopower could be considerably enhanced by impurities. Thermoelectric properties of two-dimensional systems are currently of great interest due to the possibility of heat to electrical energy conversion at the nanoscale. The thermoelectric properties are investigated using the semi-classical Boltzmann method. The electronic band structure of doped nano-ribbons is evaluated by means of density-functional theory in which the Hubbard interaction is considered. Different types of nano-ribbons (armchair-edge and zigzag-edge) and their thermoelectric features such as conductivity and Seebeck coefficient in the presence and absence of magnetic impurities have been studied.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY , 2022. Vol. 12, no 10, p. 6174-6180
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-183414DOI: 10.1039/d1ra08303aISI: 000758265400001OAI: oai:DiVA.org:liu-183414DiVA, id: diva2:1643729
Available from: 2022-03-10 Created: 2022-03-10 Last updated: 2022-09-15

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Gogva, D.
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