
Asian Journal of Electrical Sciences (AJES)
Theoretical Study on the Thermoelectric Properties of Porous Armchair Graphene Nanoribbons
Author : Navjotkaur, Deep Kamal Kaur Randhawa and Sukhdeep KaurVolume 8 No.2 April-June 2019 pp 34-41
Abstract
Thermoelectric properties of porous graphene nanoribbons (GNRs) have been explored for a range of pore dimensions in order to achieve a high performance one-dimensional nanoscale thermoelectric device. In this paper, study has been done to observe the effect of different nanoporous shapes and their associated positions on the thermoelectric properties of GNRs. The aim of this work is to study the effect of various circular, triangular, rectangular and rhombus shape dimensions so as to tune the pore to its optimal dimension that would enhance the overall thermoelectric efficiency. Further, the effect of passivation of pore edges has been studied for all shapes so as to observe its effect on thermoelectric performance. Also, the effect of temperature dependence on thermoelectric efficiency has been studied. Ballistic transport regime and semi empirical method using Huckel basis set is used to obtain the electrical properties while the tersoff potential is used for the phononic system.
Keywords
Thermoelectric, Nanopore, Figure of Merit, Passivation
References
[1] M.S. Hossain, F. Al-Dirini, F.M. Hossain, and E. Skafidas, “High performance graphenenano-ribbon thermoelectric devices by incorporation and dimensional tuning of nanopores”. Sci. Rep. Vol. 5, 11297, June 2015.
[2] L.D. Hicks and M.S. Dresselhaus, “Thermoelectric figure of merit of a one-dimensional conductor”. Phys. Rev. B, Vol. 47,pp. 16631–16634, June 1993.
[3] N. Mingo and D.A. Broido, “Thermoelectric power factor of nanoporous semiconductors”. J. Appl. Phys. Vol. 101, 014322, Jan. 2007.
[4] H. Sadeghi, S. Sangtarash, and C.J. Lambert, “Enhanced thermoelectric efficiency of porous silicone nanoribbons”, Sci. Rep. Vol. 5, 9514, Mar 2015.
[5] M.S. Hossain, F. Al-Dirini, F.M. Hossain, and E. Skafidas, “High performance graphene nano-ribbon thermoelectric devices by incorporation and dimensional tuning of nanopores”, Sci. Rep. Vol. 5, 11297, June 2015.
[6] Y. Ouyang, and J. Guo, “A theoretical study on thermoelectric properties of graphene nanoribbons”, Appl. Phys. Lett. Vol. 94, 263107, June 2009.
[7] Y. Xu, Z. Li, and W. Duan, “Thermal and thermoelectric properties of graphene”, Nano Micro Small, Vol. 10, pp. 2182-2199, June 2014.
[8] C.N. Pan, Z.X. Xie, L.M. Tang, and K.Q. Chen, “Ballistic thermoelectric properties in graphene-nanoribbon-based heterojunctions”, Appl. Phys. Lett. Vol. 101, 103115, Sept. 2012.
[9] L.B. Liang, E. Cruz-Silva, E.C. Girao, and V. Meunier, “Enhanced thermoelectric figure of merit in assembled graphene nanoribbons”, Phys. Rev. B: Condens. Matter Mater. Phys. Vol. 86, 115438, Sept. 2012.
[10] H. Sevincli and G. Cuniberti, “Enhanced thermoelectric figure of merit in edge-disordered zigzag graphene nanoribbons”, Phys. Rev. B: Condens. Matter Mater. Phys. Vol. 81, pp. 113401–113404, March 2010.
[11] J.G. Checkelsky and N.P. Ong, “Thermopower and Nernst effect in graphene in a magnetic field”, Phys. Rev. B: Condens. Matter Mater. Phys. Vol. 80, 081413, Aug 2009.
[12] D. Wang and J. Shi, “Effect of charged impurities on the thermoelectric power of graphene near the Dirac point”, Phys. Rev. B: Condens. Matter Mater. Phys. Vol. 83, 113403, March 2011.
[13] P. Wei, W. Bao, Y. Pu, C.N. Lau, and J. Shi, “Anomalous thermoelectric transport of Dirac particles in graphene”, Phys. Rev. Lett. Vol. 102, 166808, April 2009.
[14] F. Mazzamuto, V.H. Nguyen, Y. Apertet, C. Caer, C. Chassat, J. Saint-Martin, and P. Dollfus, “Enhanced thermoelectric properties in
graphenenanoribbons by resonant tunneling of electrons”, Phys. Rev. B: Condens. Matter Mater. Phys. Vol. 83, 235426, June 2011.
[15] L.B. Liang, E. Cruz-Silva, E.C. Girao, and V. Meunier, “Enhanced thermoelectric figure of merit in assembled graphene nanoribbons”, Phys. Rev. B: Condens. Matter Mater.Phys. Vol. 86, 115438, Sept. 2012.
[16] F. Mazzamuto, J. S. Martin, V.H. Nguyen, C. Chassat, and P. Dollfus, “Thermoelectric performance of disordered and nanostructured graphene ribbons using Green‟s function method”. J. Comput. Electron, Vol. 11, pp. 67–77, March 2012.
[17] M.Y. Han, B. Ozyilmaz, Y.B. Zhang, and P. Kim, “Energy bandgap engineering of graphene nanoribbons”, Phys. Rev. Lett. Vol. 98, 206805, May 2007.
[18] J. Bai, X. Duan, and Y. Huang, “Rational fabrication of graphene nanoribbons using a nanowire etch mask”, Nano Lett. Vol. 9, pp. 2083– 2087, April 2009.
[19] Z. Wei, Z. Qiang, Z. Meng-Qiang, and L.T. Kuhn, “Direct writing on graphene „paper‟ by manipulating electrons as „invisible ink‟”, Nanotechnology, Vol. 24, pp. 1–6, June 2013.
[20] L. Tapaszto, G. Dobrik, P. Lambin, and L.P. Biro, “Tailoring the atomic structure of graphene nanoribbons by scanning tunnelling microscope lithography”, Nat. Nanotechnol. Vol. 3, pp. 397–401, June 2008.
[21] N. Kalhor, S.A. Boden, and H. Mizuta, “Sub-10 nm patterning by focused He-ion beam milling for fabrication of downscaled graphene nano devices”, Microelectron. Eng.Vol. 114, pp. 70–77, Feb. 2014.
[22] A.N. Abbas, G. Liu, B. Liu, L. Zhang, H. Liu, D. Ohlberg, W. Wu, and C. Zhou, “Patterning, characterization, and chemical sensing applications of graphene nanoribbon arrays down to 5 nm using helium ion beam lithography”, ACS Nano, Vol. 8, pp. 1538–1546, Jan. 2014.
[23] D. Kienle, J.I. Cerda, and A.W. Ghosh, “Extended Huckel theory for band structure, chemistry, and transport.I. Carbon nanotubes”, J. Appl. Phys. Vol. 100, 043714, Aug 2006.
[24] K. Esfarjani, M. Zebarjadi, and Y. Kawazoe, “Thermoelectric properties of a nanocontact made of two-capped single-wall carbon nanotubes calculated within the tight-binding approximation”, Phys. Rev. B: Condens. Matter Mater. Phys. Vol. 73, 085406, Feb. 2006.
[25] H. Sadeghi, S. Sangtarash, and C.J. Lambert, “Enhancing the thermoelectric figure of merit in engineered graphene nanoribbons”, Beilstein J. Nanotechnol. Vol. 6, pp. 1176–1182, March 2015.
[26] R. Landauer, “Spatial variation of currents and fields due to localized scatterers in metallic conduction”, IBM. J. Res. Dev. Vol. 1, pp. 223–231, July 1957.
[27] K. Stokbro, D.E. Peterson, S. Smidstrup, A. Blom, M. Ipsen, and K. Kaasbjerg, “Semi empirical model for nanoscale device simulations”, Phys. Rev. B: Condens. Matter Mater. Phys.Vol. 82, 075420, August 2010.
[28] J.H. Chen, C. Jang, S. Xiao, M. Ishigami, and M.S. Fuhrer, “Intrinsic and extrinsic performance limits of graphene devices on SiO2”, Nat. Nano. Vol. 3, pp. 206–209, April 2008.
[29] S. Kaur, S. B. Narang, D. K. Randhawa, “Influence of the pore shape and dimension on the enhancement of thermoelectric performance of graphene nanoribbons”, Sci. Rep. Vol. 32, pp. 1-11, Dec.2016