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Title: Thermoelectric properties of doped graphene nanoribbons: density functional theory calculations and electrical transport
Authors: Rahmati, E.
Bafekry, A.
Faraji, M.
Gogva, D.
Nguyen, Chuong, V
Ghergherehchi, M.
Keywords: Transition-Metals
Issue Date: 2022
Publisher: Royal Soc Chemistry
Source: Rahmati, E., Bafekry, A., Faraji, M., Gogva, D., Nguyen, C. V., & Ghergherehchi, M. (2022). Thermoelectric properties of doped graphene nanoribbons: density functional theory calculations and electrical transport. RSC advances, 12(10), 6174-6180.
Abstract: 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.
ISSN: 2046-2069
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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