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Electronic, Vibtational and Transport Properties of Quasi-One Dimensional Transition Metal Dichalcogenide Structures
(Izmir Institute of Technology, 2019) Ünsal, Elif; Sevinçli, Haldun; Senger, Ramazan Tuğrul
Thermoelectric materials have attracted great attention due to their ability to convert heat to electrical energy. As the application area of nanoscience expands, nanostructuring becomes a promising approach for enhancing thermoelectric properties. In this thesis, thermoelectric enhancement of the T-phase HfSe2 structures is studied via nanostructuring. Density functional theory (DFT) based electronic and vibrational spectra of two-dimensional (2D) and quasi-one dimensional T-phase HfSe2 structures are investigated and their ballistic thermoelectric transport properties are examined within the Landauer formalism. For the first time, it was reported that the nanoribbons of the Tphase HfSe2 are dynamically stable and semiconducting materials. They have promising thermoelectric properties. We reported the enhancement of the p-type ZT parameter of T-phase HfSe2 at both low and high temperatures. Moreover, the width dependency of the thermoelectric properties of the nanoribbons are studied.

Master Degree / Yüksek Lisans Tezleri