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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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