Physics / Fizik

Permanent URI for this collectionhttps://hdl.handle.net/11147/6

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Author: search.filters.author.Akbalı, BarışSubject: search.filters.subject.Raman spectroscopy

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  • Article
    Citation - WoS: 110
    Citation - Scopus: 109
    Structural, Electronic and Phononic Properties of Ptse2: From Monolayer To Bulk
    (IOP Publishing Ltd., 2018) Kandemir, Ali; Akbalı, Barış; Kahraman, Z.; Badalov, S. V.; Özcan, Mehmet; İyikanat, Fadıl; Şahin, Hasan
    The layer dependent structural, electronic and vibrational properties of the 1T phase of two dimensional (2D) platinum diselenide are investigated by means of state-of-the-art first-principles calculations. The main findings of the study are: (i) monolayer platinum diselenide has a dynamically stable 2D octahedral structure with 1.66 eV indirect band gap, (ii) the semiconducting nature of 1T-PtSe2 monolayers remains unaffected even at high biaxial strains, (iii) top-to-top (AA) arrangement is found to be energetically the most favorable stacking of 1T-PtSe2 layers, (iv) the lattice constant (layer-layer distance) increases (decreases) with increasing number of layers, (v) while monolayer and bilayer 1T-PtSe2 are indirect semiconductors, bulk and few-layered 1T-PtSe2 are metals, (vi) Raman intensity and peak positions of the A1g and Eg modes are found to be highly dependent on the layer thickness of the material, hence; the number of layers of the material can be determined via Raman measurements.
  • Article
    Citation - WoS: 12
    Citation - Scopus: 11
    Theoretical and Experimental Investigation of Conjugation of 1,6-Hexanedithiol on Mos2
    (IOP Publishing Ltd., 2018) Gül, Aytaç; Bacaksız, Cihan; Ünsal, Emre; Akbalı, Barış; Tomak, Aysel; Zareie, Hadi M.; Şahin, Hasan
    We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDT structure is changed upon conjugation of HDT on MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2.