title: Design of chemically propelled nanodimer motors.
abstract: The self-propelled motion of nanodimers fueled by a chemical reaction taking place under nonequilibrium steady state conditions is investigated. The nanodimer consists of a pair of catalytic and chemically inactive spheres, in general with different sizes, with a fixed internuclear separation. The solvent in which the dimer moves is treated at a particle-based mesoscopic level using multiparticle collision dynamics. The directed motion of the dimer can be controlled by adjusting the interaction potentials between the solvent molecules and the dimer spheres, the internuclear separation, and sphere sizes. Dimers can be designed so that the directed motion along the internuclear axis occurs in either direction and is much larger than the thermal velocity fluctuations, a condition needed for such nanodimers to perform tasks involving targeted dynamics.
authors.affiliation: Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Ontario M5S 3H6, Canada. ytao@chem.utoronto.ca
authors.forename: Yu-Guo
authors.initials: YG
authors.lastname: Tao
authors.forename: Raymond
authors.initials: R
authors.lastname: Kapral
mesh_terms: D003198:Computer Simulation; D019281:Dimerization; D004735:Energy Transfer; D008956:Models, Chemical; D008958:Models, Molecular; D020409:Molecular Motor Proteins / Q000737:chemistry* / Q000648:ultrastructure*; D009038:Motion; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D012997:Solvents / Q000737:chemistry*
chemical_list: D020409:Molecular Motor Proteins; D012997:Solvents