Energetic driving force of H spillover between rhodium and titania surfaces : a DFT view

J. Conradie; J. Gracia; J.W. Niemantsverdriet

doi:10.1021/jp308175t

Energetic driving force of H spillover between rhodium and titania surfaces : a DFT view

J. Conradie, J. Gracia, J.W. Niemantsverdriet

Research output: Contribution to journal › Article › Academic › peer-review

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Abstract

Hydrogen spillover from a rhodium particle, over the most stable (111) surface, to a TiO2 rutile support occurs at low hydrogen coverage because the adsorption energy of H atoms at low hydrogen coverage on rutile is larger than that on rhodium. H diffuses over the support with an activation barrier low enough to allow this. With increased H coverage on the reducible metal oxide support, equilibrium is reached and spillover back to rhodium is feasible

Original language	English
Pages (from-to)	25362-25367
Number of pages	6
Journal	Journal of Physical Chemistry B
Volume	116
Issue number	48
DOIs	https://doi.org/10.1021/jp308175t
Publication status	Published - 2012

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title = "Energetic driving force of H spillover between rhodium and titania surfaces : a DFT view",

abstract = "Hydrogen spillover from a rhodium particle, over the most stable (111) surface, to a TiO2 rutile support occurs at low hydrogen coverage because the adsorption energy of H atoms at low hydrogen coverage on rutile is larger than that on rhodium. H diffuses over the support with an activation barrier low enough to allow this. With increased H coverage on the reducible metal oxide support, equilibrium is reached and spillover back to rhodium is feasible",

author = "J. Conradie and J. Gracia and J.W. Niemantsverdriet",

year = "2012",

doi = "10.1021/jp308175t",

language = "English",

volume = "116",

pages = "25362--25367",

journal = "Journal of Physical Chemistry B",

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publisher = "American Chemical Society",

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TY - JOUR

T1 - Energetic driving force of H spillover between rhodium and titania surfaces : a DFT view

AU - Conradie, J.

AU - Gracia, J.

AU - Niemantsverdriet, J.W.

PY - 2012

Y1 - 2012

N2 - Hydrogen spillover from a rhodium particle, over the most stable (111) surface, to a TiO2 rutile support occurs at low hydrogen coverage because the adsorption energy of H atoms at low hydrogen coverage on rutile is larger than that on rhodium. H diffuses over the support with an activation barrier low enough to allow this. With increased H coverage on the reducible metal oxide support, equilibrium is reached and spillover back to rhodium is feasible

AB - Hydrogen spillover from a rhodium particle, over the most stable (111) surface, to a TiO2 rutile support occurs at low hydrogen coverage because the adsorption energy of H atoms at low hydrogen coverage on rutile is larger than that on rhodium. H diffuses over the support with an activation barrier low enough to allow this. With increased H coverage on the reducible metal oxide support, equilibrium is reached and spillover back to rhodium is feasible

U2 - 10.1021/jp308175t

DO - 10.1021/jp308175t

M3 - Article

SN - 1520-6106

VL - 116

SP - 25362

EP - 25367

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 48

ER -

Energetic driving force of H spillover between rhodium and titania surfaces : a DFT view

Abstract

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