Interaction between water molecules and zinc sulfide nanoparticles studied by temperature-programmed desorption and molecular dynamics simulations.

@article{Zhang2007InteractionBW,
  title={Interaction between water molecules and zinc sulfide nanoparticles studied by temperature-programmed desorption and molecular dynamics simulations.},
  author={Hengzhong Zhang and James R. Rustad and Jillian F. Banfield},
  journal={The journal of physical chemistry. A},
  year={2007},
  volume={111 23},
  pages={5008-14}
}
We have investigated the bonding of water molecules to the surfaces of ZnS nanoparticles (approximately 2-3 nm sphalerite) using temperature-programmed desorption (TPD). The activation energy for water desorption was derived as a function of the surface coverage through kinetic modeling of the experimental TPD curves. The binding energy of water equals the activation energy of desorption if it is assumed that the activation energy for adsorption is nearly zero. Molecular dynamics (MD… CONTINUE READING
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