Self-Assembly of Alkyl-Substituted Oligothiophenes on MoS2: A Joint Experimental/Theoretical Study

The molecular arrangements of two different alkyl-substituted oligothiophenes, α,α′-dihexylquaterthiophene (DH4T) and α,α′-dioctylterthiophene (DOTT), in monolayers on molybdenum disulfide (MoS2) were studied with a joint theoretical/experimental approach. Scanning tunneling microscopy was used both...

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Published inJournal of physical chemistry. C Vol. 117; no. 42; pp. 21743 - 21751
Main Authors Afsharimani, Nasima, Minoia, Andrea, Volcke, Cédric, Surin, Mathieu, Lazzaroni, Roberto, Balandier, Jean-Yves, Niebel, Claude, Geerts, Yves H, Nysten, Bernard
Format Journal Article
LanguageEnglish
Published Columbus, OH American Chemical Society 24.10.2013
Subjects
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Physics
Structure and morphology; thickness
Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)
Thin film structure and morphology
Molecular arrangement
Ultrathin films
Order-disorder transformations
Liquid solid interface
Stacking sequence
Digital simulation
Theoretical study
Solidification front
Experimental study
Oligomers
Scanning tunneling microscopy
Self-assembly
Thiophene derivative polymer
Alkyl
Morphology
Monolayers
Ordering
Dimers
Modelling
Microstructure
Crystal structure
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Summary:The molecular arrangements of two different alkyl-substituted oligothiophenes, α,α′-dihexylquaterthiophene (DH4T) and α,α′-dioctylterthiophene (DOTT), in monolayers on molybdenum disulfide (MoS2) were studied with a joint theoretical/experimental approach. Scanning tunneling microscopy was used both at the liquid/solid interface and in dry conditions to investigate the ordering of the conjugated oligomers in two-dimensional layers. DH4T and DOTT form well-ordered monolayers at large scales with interdigitated packing on MoS2. In addition, DOTT exhibits an arrangement in which a dimer-type stacking of the conjugated backbone with an interlocking of the alkyl side chains is formed. Molecular modeling simulations have been used to provide insights into the microscopic morphology and to assess the stability of the different assemblies of DOTT and DH4T on MoS2.
ISSN:1932-7447
1932-7455
DOI:10.1021/jp404088p