Dynamics, Stability, and Adsorption States of Water on Oxidized RuO2(110)

Manh Thuong Nguyen, Rentao Mu, David C. Cantu, Igor Lyubinetsky, Vassiliki Alexandra Glezakou, Zdenek Dohnálek, Roger Rousseau

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Identifying and understanding how excess oxygen atoms affect the adsorption of water on metal oxides is crucial for their use in water splitting. Here, by means of high-resolution scanning tunneling microscopy and density-functional calculations, we show that excess oxygen atoms on the stoichiometric RuO2(110) significantly change the clustering, conformation, and deprotonation equilibrium of adsorbed water. We considered two reactive scenarios during which the stoichiometric surface was exposed (i) first to oxygen, followed by water, and (ii) first to water, followed by oxygen. In both cases, the [OH-OH] complex on Ru rows is the dominant species, showing a significant difference from water-only adsorption on the stoichiometric surface in which the [OH-H2O] species is found to be prevalent. Surface reactivity at almost full O coverage is also addressed; there we show that site selectivity of the surface for H adsorption and dissociation of H2O is hindered, notwithstanding the increase of the dynamic motion of both species. We found that the work function of RuO2 can serve as a descriptor for the reactivity of this surface to water and its constituents.

Original languageEnglish
Pages (from-to)18505-18515
Number of pages11
JournalJournal of Physical Chemistry C
Volume121
Issue number34
DOIs
Publication statusPublished - Aug 31 2017

Fingerprint

dynamic stability
Adsorption
adsorption
Water
water
Oxygen
oxygen atoms
reactivity
water splitting
Atoms
oxygen
Deprotonation
Scanning tunneling microscopy
metal oxides
scanning tunneling microscopy
Oxides
Density functional theory
selectivity
Conformations
dissociation

ASJC Scopus subject areas

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

Cite this

Nguyen, M. T., Mu, R., Cantu, D. C., Lyubinetsky, I., Glezakou, V. A., Dohnálek, Z., & Rousseau, R. (2017). Dynamics, Stability, and Adsorption States of Water on Oxidized RuO2(110). Journal of Physical Chemistry C, 121(34), 18505-18515. https://doi.org/10.1021/acs.jpcc.7b03280

Dynamics, Stability, and Adsorption States of Water on Oxidized RuO2(110). / Nguyen, Manh Thuong; Mu, Rentao; Cantu, David C.; Lyubinetsky, Igor; Glezakou, Vassiliki Alexandra; Dohnálek, Zdenek; Rousseau, Roger.

In: Journal of Physical Chemistry C, Vol. 121, No. 34, 31.08.2017, p. 18505-18515.

Research output: Contribution to journalArticle

Nguyen, MT, Mu, R, Cantu, DC, Lyubinetsky, I, Glezakou, VA, Dohnálek, Z & Rousseau, R 2017, 'Dynamics, Stability, and Adsorption States of Water on Oxidized RuO2(110)', Journal of Physical Chemistry C, vol. 121, no. 34, pp. 18505-18515. https://doi.org/10.1021/acs.jpcc.7b03280
Nguyen MT, Mu R, Cantu DC, Lyubinetsky I, Glezakou VA, Dohnálek Z et al. Dynamics, Stability, and Adsorption States of Water on Oxidized RuO2(110). Journal of Physical Chemistry C. 2017 Aug 31;121(34):18505-18515. https://doi.org/10.1021/acs.jpcc.7b03280
Nguyen, Manh Thuong ; Mu, Rentao ; Cantu, David C. ; Lyubinetsky, Igor ; Glezakou, Vassiliki Alexandra ; Dohnálek, Zdenek ; Rousseau, Roger. / Dynamics, Stability, and Adsorption States of Water on Oxidized RuO2(110). In: Journal of Physical Chemistry C. 2017 ; Vol. 121, No. 34. pp. 18505-18515.
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