Abstract
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 and 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 the Ti4+ row, respectively. The latter process has not been reported previously, and it starts from a "pseudodissociated" state of water. In both pathways, the reverse H transfer results in H2O reformation and O scrambling, as manifested by an apparent along- or across-row motion of Oa's.
| Original language | English |
|---|---|
| Article number | 096102 |
| Journal | Physical Review Letters |
| Volume | 102 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - Mar 2 2009 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
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Two pathways for water interaction with oxygen adatoms on TiO2(110). / Du, Y.; Deskins, N. A.; Zhang, Z.; Dohnálek, Z.; Dupuis, Michel; Lyubinetsky, I.
In: Physical Review Letters, Vol. 102, No. 9, 096102, 02.03.2009.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Two pathways for water interaction with oxygen adatoms on TiO2(110)
AU - Du, Y.
AU - Deskins, N. A.
AU - Zhang, Z.
AU - Dohnálek, Z.
AU - Dupuis, Michel
AU - Lyubinetsky, I.
PY - 2009/3/2
Y1 - 2009/3/2
N2 - 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 and 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 the Ti4+ row, respectively. The latter process has not been reported previously, and it starts from a "pseudodissociated" state of water. In both pathways, the reverse H transfer results in H2O reformation and O scrambling, as manifested by an apparent along- or across-row motion of Oa's.
AB - 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 and 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 the Ti4+ row, respectively. The latter process has not been reported previously, and it starts from a "pseudodissociated" state of water. In both pathways, the reverse H transfer results in H2O reformation and O scrambling, as manifested by an apparent along- or across-row motion of Oa's.
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U2 - 10.1103/PhysRevLett.102.096102
DO - 10.1103/PhysRevLett.102.096102
M3 - Article
VL - 102
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 9
M1 - 096102
ER -