Potassium and water coadsorption on TiO2(110): OH-induced anchoring of potassium and the generation of single-site catalysts

Grinter, David C.; R. Remesal, Elena; Luo, Si; Evans, Jaime; Senanayake, Sanjaya D.; Stacchiola, Dario J.; Graciani, Jesus; Fernandez Sanz, Javier; Rodriguez, Jose A.

doi:10.1021/acs.jpclett.6b01623

Title: Potassium and water coadsorption on TiO₂(110): OH-induced anchoring of potassium and the generation of single-site catalysts

Journal Article · Thu Sep 15 00:00:00 EDT 2016 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.6b01623· OSTI ID:1337656

Grinter, David C. ^[1]; R. Remesal, Elena ^[2]; Luo, Si ^[3]; Evans, Jaime ^[4]; Senanayake, Sanjaya D. ^[1]; Stacchiola, Dario J. ^[1]; Graciani, Jesus ^[2]; Fernandez Sanz, Javier ^[2]; Rodriguez, Jose A. ^[3]

Brookhaven National Lab. (BNL), Upton, NY (United States)
Univ. de Sevilla, Sevilla (Spain)
Brookhaven National Lab. (BNL), Upton, NY (United States); State Univ. of New York (SUNY) at Stony Brook, Stony Brook, NY (United States)
Univ. Central de Venezuela, Caracas (Venezuela)

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.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC00112704

OSTI ID:: 1337656

Report Number(s):: BNL-113326-2016-JA; R&D Project: CO040; KC0302010

Journal Information:: Journal of Physical Chemistry Letters, Vol. 7, Issue 19; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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Morphology and chemical behavior of model CsO _x /Cu ₂ O/Cu(111) nanocatalysts for methanol synthesis: Reaction with CO ₂ and H ₂ Hamlyn, Rebecca; Mahapatra, Mausumi; Orozco, Ivan The Journal of Chemical Physics, Vol. 152, Issue 4 https://doi.org/10.1063/1.5129152	journal	January 2020
Hydroxylation of ZnO/Cu(1 1 1) inverse catalysts under ambient water vapor and the water–gas shift reaction Orozco, Ivan; Huang, Erwei; Gutiérrez, Ramón A. Journal of Physics D: Applied Physics, Vol. 52, Issue 45 https://doi.org/10.1088/1361-6463/ab37da	journal	August 2019

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Title: Potassium and water coadsorption on TiO₂(110): OH-induced anchoring of potassium and the generation of single-site catalysts