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Dynamics and Collective Behavior of Chemically Propelled Janus Sphere Dimers in Complex Solvents.

Rufei Cui,Boqi Ding,Yongjun Zhang,Renxian Gao,Kun Zhang,Fengyi Zhang,Zhe Kong,Yaxin Wang,Xiaoyu Zhao

Published 2024 in Journal of Chemical Theory and Computation

ABSTRACT

The propulsion mechanisms and collective dynamics of chemically powered Janus sphere dimers at the micro- and nanoscales, confined in a quasi-two-dimensional geometry, are investigated using a coarse-grained microscopic dynamical model. These active Janus dimers consist of two identical Janus spheres, featuring a catalytic cap on one hemisphere. The chemical reaction taking place on the catalytic surface generates asymmetric concentration gradients of product molecules around the Janus sphere, leading to the self-propulsion of the dimers. Depending on the dimer configuration, they exhibit various motion behaviors such as forward propulsion, rotation, and restricted stochastic motion. Due to chemotactic effects and self-diffusiophoretic forces, ensembles of dimers spontaneously form diverse structures, such as transient clusters, stable rotational ensembles, and antiparallel aligned doublets. This study demonstrates that the configurations of Janus sphere dimers significantly influence their self-propulsion and collective behaviors, providing crucial insights for the design and control of active micro- and nanoscale systems.

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