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Molecular Or Dissociative Adsorption Of Water On Clean And Oxygen Pre-covered Ni(111) Surfaces

Ling Zhu, Chunli Liu, Xiaodong Wen, Yong-Wang Li, Haijun Jiao

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Water adsorption and dissociation on clean and oxygen pre-covered Ni(111) surfaces have been computed systematically by using density functional theory and ab initio atomistic thermodynamics.