Browsing by Author "Dai, Ying"

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First-principles study of S doping at the rutile TiO2 (110) surface

Long, Run ; English, Niall J. ; Dai, Ying (ACS Publications, 2009-09-15)

The structural, energetic and electronic properties of various S doping configurations by substitution and adsorption at the rutile TiO2 (110) surface have been investigated by first-principles density functional theory ...