title: Adsorption configuration effects on the surface diffusion of large organic molecules: the case of Violet Lander.
abstract: Violet Lander (C(108)H(104)) is a large organic molecule that when deposited on Cu(110) surface exhibits lock-and-key like behavior [Otero et al., Nature Mater. 3, 779 (2004)]. In this work, we report a detailed fully atomistic molecular mechanics and molecular dynamics study of this phenomenon. Our results show that it has its physical basis on the interplay of the molecular hydrogens and the Cu(110) atomic spacing, which is a direct consequence of the matching between molecule and surface dimensions. This information could be used to find new molecules capable of displaying lock-and-key behavior with new potential applications in nanotechnology.
authors.affiliation: Departamento de Física, ICE, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora-MG, Brazil.
authors.forename: F
authors.initials: F
authors.lastname: Sato
authors.forename: S B
authors.initials: SB
authors.lastname: Legoas
authors.forename: R
authors.initials: R
authors.lastname: Otero
authors.forename: F
authors.initials: F
authors.lastname: Hümmelink
authors.forename: P
authors.initials: P
authors.lastname: Thostrup
authors.forename: E
authors.initials: E
authors.lastname: Lægsgaard
authors.forename: I
authors.initials: I
authors.lastname: Stensgaard
authors.forename: F
authors.initials: F
authors.lastname: Besenbacher
authors.forename: D S
authors.initials: DS
authors.lastname: Galvão