Counterions and water molecules in charged silicon nanochannels: the influence of surface charge discreteness

  title={Counterions and water molecules in charged silicon nanochannels: the influence of surface charge discreteness},
  author={Yinghua Qiu and Yunfei Chen},
  journal={Molecular Simulation},
  pages={1187 - 1192}
In order to detect the effect of the surface charge discreteness on the properties at the solid–liquid interface, a molecular dynamics simulation model considering the vibration of wall atoms was used to investigate the performance of ion and water under different charge distributions. Through the comparison between simulation results and the theoretical prediction, it was found that, with the increasing degree of discreteness, much more counterions were attracted to the surface. These ions… 

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