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Jin-Hua Luo, Prof. Yun-Hong Zhang and Prof. Ze-Sheng Li Adsorption of Water on an MgSO4(100) Surface: A First-Principles Investigation ChemPhysChem 14

Article first published online: 29 APR 2013 | DOI: 10.1002/cphc.201300077

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Surface factors: The adsorption properties of water molecules on an MgSO4(100) surface are studied by using density functional theory (see picture). The configurations of water molecules adsorbed on atoms of the second and third atomic layers of MgSO4(100) are quite stable. In addition, water molecules preferentially adsorb onto a defective surface.

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