Title of article
Adsorption of water molecules on the CdTe(0 0 1) surface
Author/Authors
Yan، نويسنده , , Yanfa and Al-Jassim، نويسنده , , M.M.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2003
Pages
7
From page
34
To page
40
Abstract
The adsorption of water molecules on the CdTe(0 0 1) surface is studied by density-functional total-energy calculations within the generalized gradient approximation. We find that water is adsorbed molecularly on Cd atoms, and dissociative adsorption is energetically unfavorable. We also find that the formation of Cd and Te vacancies on the surface and electron and hole doping do not alter significantly the adsorption behavior of water molecules on the CdTe(0 0 1) surface.
Keywords
water , physical adsorption , Density functional calculations
Journal title
Surface Science
Serial Year
2003
Journal title
Surface Science
Record number
1683961
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