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The stress on TiO2 (110) and (100) surfaces with four types of adsorbent: (i) molecularly adsorbed water, (ii) dissociatively adsorbed water, (iii) dissociatively adsorbed water at an oxygen vacancy, and (iv) adsorbed hydrogen was investigated in the framework of density functional theory using a slab model. The calculations were intended to rationalize the change in dynamic hardness and the effect of artificially introduced stress that occurs in experimentally photoinduced hydrophilicity.
Hideyuki Kamisaka andKoichi Yamashita
"Surface stress of water adsorbed TiO2 surfaces", Proc. SPIE 6340, Solar Hydrogen and Nanotechnology, 634004 (31 August 2006); https://doi.org/10.1117/12.680239
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Hideyuki Kamisaka, Koichi Yamashita, "Surface stress of water adsorbed TiO2 surfaces," Proc. SPIE 6340, Solar Hydrogen and Nanotechnology, 634004 (31 August 2006); https://doi.org/10.1117/12.680239