title: Self-assembly of a catechol-based macrocycle at the liquid-solid interface: experiments and molecular dynamics simulations.
abstract: This combined experimental (STM, XPS) and molecular dynamics simulation study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle containing catechol moieties at the liquid-solid interface. STM imaging reveals a hexagonal ordering of the macrocycles at the n-tetradecane/Au(111) interface, compatible with a desorption of the lateral chains of the macrocycle. Interestingly, all the triangular-shaped macrocycles are oriented in the same direction, avoiding a close-packed structure. XPS experiments indicate the presence of a strong macrocycle-surface interaction. Also, MD simulations reveal substantial solvent effects. In particular, we find that co-adsorption of solvent molecules with the macrocycles induces desorption of lateral chains, and the solvent molecules act as spacers stabilizing the open self-assembly pattern.
authors: Fundación Privada ASCAMM, Unidad de Nanotecnología, ParcTecnològic del Vallès, Av. Universitat Autònoma, 23, E-08290 Cerdanyola del Valles, Spain.
authors: Javier
authors: J
authors: Saiz-Poseu
authors: Alberto
authors: A
authors: Martínez-Otero
authors: Thomas
authors: T
authors: Roussel
authors: Joseph K-H
authors: JK
authors: Hui
authors: Mavis L
authors: ML
authors: Montero
authors: Roberto
authors: R
authors: Urcuyo
authors: Mark J
authors: MJ
authors: MacLachlan
authors: Jordi
authors: J
authors: Faraudo
authors: Daniel
authors: D
authors: Ruiz-Molina