Computational study of nanometer-scale self-propulsion enabled by asymmetric chemical catalysis

Abstract

We present a detailed analysis of the self-propulsion of a model nanometer-scale motor by reactive molecular dynamics simulations. The nanomotor is decorated with catalysts on only one side that promotes exothermic reactions of the surrounding fuel. Unidirectional drift of the nanomotor is observed that is superimposed on its Brownian motion. The motor response upon the application of external loads is also investigated and the thermodynamic efficiency is calculated. It is shown that the propulsion of our nanomotor can be understood by a momentum transfer model which is akin to rocket propulsion. © 2009 American Institute of Physics.