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Ice nucleation on a model hexagonal surface
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DOI：10.1021/la048958l.png)
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Abstract
En 中文
The adsorption of water on a model hexagonal surface has been studied using accurate intermolecular potentials. The structure and binding energies of single molecules, clusters, and adlayers are obtained. The limiting case of weak, nondirectional surface-water interactions presented here is compared with other cases involving water-water and water-surface interactions of a similar magnitude (partial templating) and dominating water-surface interactions (perfect templating) from the literature. None of these models is conducive to the nucleation of ice, each for different reasons. We comment on the requirements for a good ice-nucleating surface.
Keywords:
STATIONARY-POINTS
SOLID-SURFACES
228 K
WATER
ADSORPTION
BAF2(111)
POTENTIALS
NACL(001)
HYDROGEN