Water structures near charged (100) and (111) silicon surfaces

Dongyan Xu; Yongsheng Leng; Yunfei Chen; Deyu Li
May 2009
Applied Physics Letters;5/18/2009, Vol. 94 Issue 20, p201901
Academic Journal
Molecular dynamics simulations show that the layering structure of water molecules near solid surfaces can be significantly altered by surface charges. The first layer of water near the (100) silicon surface can be split into two layers as the surface charge density increases to -0.1 C/m2 because of the much more aligned distribution of water molecules. However, this splitting is not observed for the (111) silicon surface due to the higher surface atom density, which prevents water molecules from getting very close to the surface.


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