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Na adsorption on SrTiO 3 (001) surface and its interaction with water were studied by using density functional theory approach. Our results showed that, owing to the stronger screening effect of SrO termination, TiO 2 termination was more favorable for Na adsorption than the SrO termination. Doping with N at the site of oxygen in SrTiO 3 was used to enhance Na adsorption. The...
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