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

• Published in: Journal 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
• Language: English
• 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
• DOI: 10.1021/jp404088p
• ISSN: 1932-7447

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.