Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/7090
Title: Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2
Authors: Gül, Aytaç
Bacaksız, Cihan
Ünsal, Emre
Akbalı, Barış
Tomak, Aysel
Zareie, Hadi M.
Şahin, Hasan
Keywords: Conjugation of MoS2
First principles
Raman spectroscopy
Vibrational spectra
HOMO-LUMO
TMDs
Publisher: IOP Publishing Ltd.
Source: Gül, A., Bacaksız, C., Ünsal, E., Akbalı, B., Tomak, A., Zareie, H. M., and Şahin, H. (2018). Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2. Materials Research Express, 5(3). doi:10.1088/2053-1591/aab4a6
Abstract: 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.
URI: https://doi.org/10.1088/2053-1591/aab4a6
http://hdl.handle.net/11147/7090
ISSN: 2053-1591
Appears in Collections:Bioengineering / Biyomühendislik
Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
Photonics / Fotonik
Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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