Chemisorbed and Physisorbed Water at the TiO2/Water Interface.
J Phys Chem Lett
; 8(10): 2195-2199, 2017 May 18.
Article
in En
| MEDLINE
| ID: mdl-28447795
ABSTRACT
The interfacial structure of water in contact with TiO2 is the key to understand the mechanism of photocatalytic water dissociation as well as photoinduced superhydrophilicity. We investigate the interfacial molecular structure of water at the surface of anatase TiO2, using phase-sensitive sum frequency generation spectroscopy together with spectra simulation using ab initio molecular dynamic trajectories. We identify two oppositely oriented, weakly and strongly hydrogen-bonded subensembles of O-H groups at the superhydrophilic UV irradiated TiO2 surface. The water molecules with weakly hydrogen-bonded O-H groups are chemisorbed, i.e. form hydroxyl groups, at the TiO2 surface with their hydrogen atoms pointing toward bulk water. The strongly hydrogen-bonded O-H groups interact with the oxygen atom of the chemisorbed water. Their hydrogen atoms point toward the TiO2. This strong interaction between physisorbed and chemisorbed water molecules causes superhydrophilicity.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
J Phys Chem Lett
Year:
2017
Document type:
Article
Affiliation country:
Germany