Water interactions with terminal hydroxyls on TiO2(110)

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

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

A combination of scanning tunneling microscopy and density functional theory has been used to investigate the interactions between water molecules and terminal hydroxyls (OHt's) adsorbed on the TiO2(110) surface at 300 K. We show that OHt's have a significant effect on the water reactivity. Two distinctive reaction pathways are unraveled depending on the whether H2O and OHt are on the same or adjacent Ti rows. The underlying reaction mechanisms involve proton transfer from H 2O to OHt leading to the formation of new H2O molecules, accompanied by O scrambling and along- or across-row apparent motion of OHt's.

Original languageEnglish
Pages (from-to)17080-17084
Number of pages5
JournalJournal of Physical Chemistry C
Volume114
Issue number40
DOIs
Publication statusPublished - Oct 14 2010

Fingerprint

Hydroxyl Radical
Molecules
Proton transfer
Water
Scanning tunneling microscopy
water
Density functional theory
scanning tunneling microscopy
molecules
reactivity
interactions
density functional theory
Hydrogen
protons

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Du, Y., Deskins, N. A., Zhang, Z., Dohnalek, Z., Dupuis, M., & Lyubinetsky, I. (2010). Water interactions with terminal hydroxyls on TiO2(110). Journal of Physical Chemistry C, 114(40), 17080-17084. https://doi.org/10.1021/jp1036876

Water interactions with terminal hydroxyls on TiO2(110). / Du, Yingge; Deskins, N. Aaron; Zhang, Zhenrong; Dohnalek, Zdenek; Dupuis, Michel; Lyubinetsky, Igor.

In: Journal of Physical Chemistry C, Vol. 114, No. 40, 14.10.2010, p. 17080-17084.

Research output: Contribution to journalArticle

Du, Y, Deskins, NA, Zhang, Z, Dohnalek, Z, Dupuis, M & Lyubinetsky, I 2010, 'Water interactions with terminal hydroxyls on TiO2(110)', Journal of Physical Chemistry C, vol. 114, no. 40, pp. 17080-17084. https://doi.org/10.1021/jp1036876
Du Y, Deskins NA, Zhang Z, Dohnalek Z, Dupuis M, Lyubinetsky I. Water interactions with terminal hydroxyls on TiO2(110). Journal of Physical Chemistry C. 2010 Oct 14;114(40):17080-17084. https://doi.org/10.1021/jp1036876
Du, Yingge ; Deskins, N. Aaron ; Zhang, Zhenrong ; Dohnalek, Zdenek ; Dupuis, Michel ; Lyubinetsky, Igor. / Water interactions with terminal hydroxyls on TiO2(110). In: Journal of Physical Chemistry C. 2010 ; Vol. 114, No. 40. pp. 17080-17084.
@article{4b7a04e4dd2b4d0ebff81fd405a74710,
title = "Water interactions with terminal hydroxyls on TiO2(110)",
abstract = "A combination of scanning tunneling microscopy and density functional theory has been used to investigate the interactions between water molecules and terminal hydroxyls (OHt's) adsorbed on the TiO2(110) surface at 300 K. We show that OHt's have a significant effect on the water reactivity. Two distinctive reaction pathways are unraveled depending on the whether H2O and OHt are on the same or adjacent Ti rows. The underlying reaction mechanisms involve proton transfer from H 2O to OHt leading to the formation of new H2O molecules, accompanied by O scrambling and along- or across-row apparent motion of OHt's.",
author = "Yingge Du and Deskins, {N. Aaron} and Zhenrong Zhang and Zdenek Dohnalek and Michel Dupuis and Igor Lyubinetsky",
year = "2010",
month = "10",
day = "14",
doi = "10.1021/jp1036876",
language = "English",
volume = "114",
pages = "17080--17084",
journal = "Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "40",

}

TY - JOUR

T1 - Water interactions with terminal hydroxyls on TiO2(110)

AU - Du, Yingge

AU - Deskins, N. Aaron

AU - Zhang, Zhenrong

AU - Dohnalek, Zdenek

AU - Dupuis, Michel

AU - Lyubinetsky, Igor

PY - 2010/10/14

Y1 - 2010/10/14

N2 - A combination of scanning tunneling microscopy and density functional theory has been used to investigate the interactions between water molecules and terminal hydroxyls (OHt's) adsorbed on the TiO2(110) surface at 300 K. We show that OHt's have a significant effect on the water reactivity. Two distinctive reaction pathways are unraveled depending on the whether H2O and OHt are on the same or adjacent Ti rows. The underlying reaction mechanisms involve proton transfer from H 2O to OHt leading to the formation of new H2O molecules, accompanied by O scrambling and along- or across-row apparent motion of OHt's.

AB - A combination of scanning tunneling microscopy and density functional theory has been used to investigate the interactions between water molecules and terminal hydroxyls (OHt's) adsorbed on the TiO2(110) surface at 300 K. We show that OHt's have a significant effect on the water reactivity. Two distinctive reaction pathways are unraveled depending on the whether H2O and OHt are on the same or adjacent Ti rows. The underlying reaction mechanisms involve proton transfer from H 2O to OHt leading to the formation of new H2O molecules, accompanied by O scrambling and along- or across-row apparent motion of OHt's.

UR - http://www.scopus.com/inward/record.url?scp=77957887127&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77957887127&partnerID=8YFLogxK

U2 - 10.1021/jp1036876

DO - 10.1021/jp1036876

M3 - Article

VL - 114

SP - 17080

EP - 17084

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 40

ER -