Two Pathways for Water Interaction with Oxygen Adatoms on TiO2(110)

Journal Article · Fri Mar 06 04:00:00 EST 2009 · Physical Review Letters, 102(9):Art. No. 096102

DOI:https://doi.org/10.1103/PhysRevLett.102.096102· OSTI ID:951820

Du, Yingge; Deskins, N Aaron; Zhang, Zhenrong; Dohnalek, Zdenek; Dupuis, Michel; Lyubinetsky, Igor

Scanning tunneling microscopy and density functional theory studies show that oxygen adatoms (Oa), produced during O2 exposure of reduced TiO2(110) surfaces, alter the water dissociation/recombination chemistry through two distinctive pathways. Depending on whether H2O and Oa are on the same or adjacent Ti4+ rows, Oa facilitates H2O dissociation and proton transfer to form a terminal hydroxyl pair, positioned along- or across-Ti row, respectively. The latter process has not been reported previously, and it starts from “pseudo-dissociated” state of water. In both pathways, the subsequent reverse proton transfer results in H2O recombination and statistical oxygen atom scrambling, as manifested by an apparent along- or across-row motion of Oa’s.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 951820
• Report Number(s): PNNL-SA-63535; 19804; 25619; 19811; KC0301010
• Journal Information: Physical Review Letters, 102(9):Art. No. 096102, Journal Name: Physical Review Letters, 102(9):Art. No. 096102 Journal Issue: 9 Vol. 102; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
ATOMS
CHEMISTRY
DISSOCIATION
Environmental Molecular Sciences Laboratory
FUNCTIONALS
OXYGEN
PROTONS
RECOMBINATION
SCANNING TUNNELING MICROSCOPY
WATER