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Title: Potassium and water coadsorption on TiO 2(110): OH-induced anchoring of potassium and the generation of single-site catalysts

Potassium deposition on TiO 2(110) results in reduction of the substrate and formation of loosely bound potassium species that can move easily on the oxide surface to promote catalytic activity. The results of density functional calculations predict a large adsorption energy (~3.2 eV) with a small barrier (~0.25 eV) for diffusion on the oxide surface. In scanning tunneling microscopy images, the adsorbed alkali atoms lose their mobility when in contact with surface OH groups. Furthermore, K adatoms facilitate the dissociation of water on the titania surface. Lastly, the K–(OH) species generated are good sites for the binding of gold clusters on the TiO 2(110) surface, producing Au/K/TiO 2(110) systems with high activity for the water–gas shift.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [1] ;  [1] ;  [2] ;  [2] ;  [3]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Univ. de Sevilla, Sevilla (Spain)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States); State Univ. of New York (SUNY) at Stony Brook, Stony Brook, NY (United States)
  4. Univ. Central de Venezuela, Caracas (Venezuela)
Publication Date:
Report Number(s):
BNL-113326-2016-JA
Journal ID: ISSN 1948-7185; R&D Project: CO040; KC0302010
Grant/Contract Number:
SC00112704
Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 7; Journal Issue: 19; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1337656

Grinter, David C., R. Remesal, Elena, Luo, Si, Evans, Jaime, Senanayake, Sanjaya D., Stacchiola, Dario J., Graciani, Jesus, Fernandez Sanz, Javier, and Rodriguez, Jose A.. Potassium and water coadsorption on TiO2(110): OH-induced anchoring of potassium and the generation of single-site catalysts. United States: N. p., Web. doi:10.1021/acs.jpclett.6b01623.
Grinter, David C., R. Remesal, Elena, Luo, Si, Evans, Jaime, Senanayake, Sanjaya D., Stacchiola, Dario J., Graciani, Jesus, Fernandez Sanz, Javier, & Rodriguez, Jose A.. Potassium and water coadsorption on TiO2(110): OH-induced anchoring of potassium and the generation of single-site catalysts. United States. doi:10.1021/acs.jpclett.6b01623.
Grinter, David C., R. Remesal, Elena, Luo, Si, Evans, Jaime, Senanayake, Sanjaya D., Stacchiola, Dario J., Graciani, Jesus, Fernandez Sanz, Javier, and Rodriguez, Jose A.. 2016. "Potassium and water coadsorption on TiO2(110): OH-induced anchoring of potassium and the generation of single-site catalysts". United States. doi:10.1021/acs.jpclett.6b01623. https://www.osti.gov/servlets/purl/1337656.
@article{osti_1337656,
title = {Potassium and water coadsorption on TiO2(110): OH-induced anchoring of potassium and the generation of single-site catalysts},
author = {Grinter, David C. and R. Remesal, Elena and Luo, Si and Evans, Jaime and Senanayake, Sanjaya D. and Stacchiola, Dario J. and Graciani, Jesus and Fernandez Sanz, Javier and Rodriguez, Jose A.},
abstractNote = {Potassium deposition on TiO2(110) results in reduction of the substrate and formation of loosely bound potassium species that can move easily on the oxide surface to promote catalytic activity. The results of density functional calculations predict a large adsorption energy (~3.2 eV) with a small barrier (~0.25 eV) for diffusion on the oxide surface. In scanning tunneling microscopy images, the adsorbed alkali atoms lose their mobility when in contact with surface OH groups. Furthermore, K adatoms facilitate the dissociation of water on the titania surface. Lastly, the K–(OH) species generated are good sites for the binding of gold clusters on the TiO2(110) surface, producing Au/K/TiO2(110) systems with high activity for the water–gas shift.},
doi = {10.1021/acs.jpclett.6b01623},
journal = {Journal of Physical Chemistry Letters},
number = 19,
volume = 7,
place = {United States},
year = {2016},
month = {9}
}