Abstract
Classical molecular dynamics (CMD) simulation has been performed to study the ZnS deposition from aqueous solution on a surface of crystalline Ag2S. The initial configuration of the Ag2S + ZnS + H2O simulated system includes the surface of crystalline Ag2S silver sulfide with H2O molecules above this surface and Zn2+ and S2- ions located between water molecules. In Ag2S + ZnS + H2O system, sulfur ions are adsorbed originally from a solution on Ag2S surface. The part of deposited Zn atoms Zn is under the first deposited layer of S atoms S, and other Zn atoms Zn are located approximately level with surface S atoms. Performed CMD calculation has shown that the dependences of relative number of the deposited sulfur and zinc atoms on the deposition time are symbate, and formation of first surface ZnS layer occurs during deposition about 10 ns.In addition, the analytical model of ZnS deposition on Ag2S surface is proposed. The CMD simulation confirmed the adequacy of this analytical model.
Published Version
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