Publication
Title
Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on
Author
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/HDTstructure is changed upon conjugation ofHDTon 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.
Language
English
Source (journal)
Materials research express. - Bristol, 2014, currens
Publication
Bristol : IOP Publishing , 2018
ISSN
2053-1591 [online]
Volume/pages
5 :3 (2018) , 9 p.
Article Reference
036415
ISI
000428781400003
Medium
E-only publicatie
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
External links
Web of Science
Record
Identification
Creation 05.11.2018
Last edited 11.09.2021