Origin of hydroxyl pair formation on reduced anatase TiO2(101)
The interaction of water with metal oxide surfaces is of key importance to several research fields and applications. Because of its ability to photo-catalyze water splitting, reducible anatase TiO2 (a-TiO2) is of particular interest. Here, we combine experiments and theory to study the dissociation...
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| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2023-05, Vol.25 (19), p.13645-13653 |
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| container_title | Physical chemistry chemical physics : PCCP |
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| creator | Adamsen, Kræn C Petrik, Nikolay G Wilke Dononelli Kimmel, Greg A Xu, Tao Li, Zheshen Lammich, Lutz Hammer, Bjørk Lauritsen, Jeppe V Wendt, Stefan |
| description | The interaction of water with metal oxide surfaces is of key importance to several research fields and applications. Because of its ability to photo-catalyze water splitting, reducible anatase TiO2 (a-TiO2) is of particular interest. Here, we combine experiments and theory to study the dissociation of water on bulk-reduced a-TiO2(101). Following large water exposures at room temperature, point-like protrusions appear on the a-TiO2(101) surface, as shown by scanning tunneling microscopy (STM). These protrusions originate from hydroxyl pairs, consisting of terminal and bridging OH groups, OHt/OHb, as revealed by infrared reflection absorption spectroscopy (IRRAS) and valence band experiments. Utilizing density functional theory (DFT) calculations, we offer a comprehensive model of the water/a-TiO2(101) interaction. This model also explains why the hydroxyl pairs are thermally stable up to ∼480 K. |
| doi_str_mv | 10.1039/d3cp01051a |
| format | Article |
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| source | Royal Society Of Chemistry Journals; Alma/SFX Local Collection |
| subjects | Absorption spectroscopy Anatase Density functional theory Infrared reflection INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Metal oxides Room temperature Scanning tunneling microscopy Thermal stability Titanium dioxide Valence band Water splitting |
| title | Origin of hydroxyl pair formation on reduced anatase TiO2(101) |
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