Molecular-Level Understanding of CeO2 as a Catalyst for Partial Alkyne Hydrogenation

Javier Carrasco; Gianvito Vilé; Delia Fernández-Torre; Ruben Pérez; Javier Pérez-Ramírez; M. Veronica Ganduglia-Pirovano

doi:10.1021/jp410478c

journal article Jan 24, 2014

Molecular-Level Understanding of CeO2 as a Catalyst for Partial Alkyne Hydrogenation

Javier Carrasco

Gianvito Vilé

Delia Fernández-Torre Ruben Pérez

Javier Pérez-Ramírez

M. Veronica Ganduglia-Pirovano

The Journal of Physical Chemistry C Vol. 118 No. 10 pp. 5352-5360 · American Chemical Society (ACS)

View at Publisher Save 10.1021/jp410478c

Topics

No keywords indexed for this article. Browse by subject →

References

45

[1]

Rase, H. F.Handbook of Commercial Catalysts: Heterogeneous Catalysts;CRC Press:Boca Raton, 2000; p110.

[2]

Bartholomew, C. H.; Farrauto, R. J.Fundamentals of Industrial Catalytic Processes,2nd ed.Wiley:New York, 2005; p411. 10.1002/9780471730071

[3]

Derrien, M. L.InCatalytic Hydrogenation;Červený, L., Ed.Studies in Surface Science and Catalysis Series;Elsevier:Amsterdam, 1986; Vol.27, p613.

[4]

García-Mota M. J. Catal. (2010) 10.1016/j.jcat.2010.04.018

[5]

García-Mota M. Theor. Chem. Acc. (2011) 10.1007/s00214-010-0800-0

[6]

Teschner D. Science (2008) 10.1126/science.1155200

[7]

Crespo-Quesada M. J. Am. Chem. Soc. (2011) 10.1021/ja204557m

[8]

Studt F. Science (2008) 10.1126/science.1156660

[9]

Bridier B. Dalton Trans. (2010) 10.1039/c0dt00010h

[10]

Kyriakou G. Science (2012) 10.1126/science.1215864

[11]

Vilé G. Angew. Chem., Int. Ed. (2012) 10.1002/anie.201203675

[12]

Segura Y. J. Catal. (2007) 10.1016/j.jcat.2007.02.019

[13]

Guan Y. Phys. Chem. Chem. Phys. (2009)

[14]

Azizi Y. J. Catal. (2008) 10.1016/j.jcat.2008.04.003

[15]

Zhu H.-Z. Nanoscale (2013) 10.1039/c3nr02662k

[16]

Fronzi M. J. Chem. Phys. (2009) 10.1063/1.3191784

[17]

Branda M. M. J. Phys. Chem. C (2011) 10.1021/jp111427j

[18]

Sheth P. A. J. Phys. Chem. B (2005) 10.1021/jp050194a

[19]

López N. J. Phys. Chem. C (2008) 10.1021/jp711258q

[20]

Bridier B. J. Catal. (2010) 10.1016/j.jcat.2009.10.019

[21]

Yang B. ACS Catal. (2012) 10.1021/cs2006789

[22]

Vilé G. ChemCatChem (2013) 10.1002/cctc.201300569

[23]

Murgida G. Phys. Rev. Lett. (2013) 10.1103/physrevlett.110.246101

[24]

Ganduglia-Pirovano M. V. Surf. Sci. Rep. (2007) 10.1016/j.surfrep.2007.03.002

[25]

Carrasco J. J. Phys. Chem. C (2013) 10.1021/jp400430r

[26]

Pacchioni G. J. Chem. Phys. (2008) 10.1063/1.2819245

[27]

Castleton C. W. M. J. Chem. Phys. (2007)

[28]

Plata J. J. J. Chem. Phys. (2012) 10.1063/1.3678309

[29]

Ganduglia-Pirovano M. V. Phys. Rev. Lett. (2009) 10.1103/physrevlett.102.026101

[30]

Jerratsch J.-F. Phys. Rev. Lett. (2011)

[31]

Li H.-Y. Phys. Rev. B (2009)

[32]

Paier J. Chem. Rev. (2013) 10.1021/cr3004949

[33]

Kresse G. Phys. Rev. B (1993) 10.1103/physrevb.47.558

[34]

Kresse G. Phys. Rev. B (1996) 10.1103/physrevb.54.11169

[35]

The VASP site,http://www.vasp.at(version vasp.5.2.12).

[36]

Kresse G. Phys. Rev. B (1999) 10.1103/physrevb.59.1758

[37]

Dudarev S. Phys. Rev. B (1998) 10.1103/physrevb.57.1505

[38]

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof

Physical Review Letters 1996 10.1103/physrevlett.77.3865

[39]

Fabris S. Phys. Rev. B (2005) 10.1103/physrevb.72.237102

[40]

Linear response approach to the calculation of the effective interaction parameters in theLDA+Umethod

Matteo Cococcioni, Stefano de Gironcoli

Physical Review B 2005 10.1103/physrevb.71.035105

[41]

Monkhorst H. J. Phys. Rev. B (1976) 10.1103/physrevb.13.5188

[42]

Jónsson, H.; Mills, G.; Jacobsen, K. W.InClassical and Quantum Dynamics in Condensed Phase Simulations;Berne, B. J.; Ciccotti, G.; Coker, D. F., Eds.World Scientific:Singapore, 1998; p385.

[43]

Molinier, M.; Ou, J. D. Y.; Risch, M. A.Hydrogenation Catalyst for Selective Hydrogenation of, e.g., Acetylene, Comprises Nickel- or Platinum-Based Component, Second and Third Metal or Metal-Based Component(s) from Specified Groups and Support and/or Binder. US2004/0176651 A1, 2004.

[44]

Fernández-Torre, D.; Carrasco, J.; Ganduglia-Pirovano, M.; Perez, R.in preparation.

[45]

Chen H.-T. ChemPhysChem (2007) 10.1002/cphc.200600598

Cited By

132

Morphology-dependent CeO2 catalysis in acetylene semihydrogenation reaction

Tian Cao, Rui You · 2020

Applied Surface Science

Oxidation of Reduced Ceria by Incorporation of Hydrogen

Zhaorui Li, Kristin Werner · 2019

Angewandte Chemie International Edi...

Breaking H2 with CeO2: Effect of Surface Termination

Olivier Matz, Monica Calatayud · 2018

ACS Omega

Understanding All-Solid Frustrated-Lewis-Pair Sites on CeO2 from Theoretical Perspectives

Zheng-Qing Huang, Li-Ping Liu · 2017

ACS Catalysis

Toward an Understanding of Selective Alkyne Hydrogenation on Ceria: On the Impact of O Vacancies on H2 Interaction with CeO2(111)

Kristin Werner, Xuefei Weng · 2017

Journal of the American Chemical So...

The surface chemistry of cerium oxide

David R. Mullins · 2015

Surface Science Reports

Advances in the Design of Nanostructured Catalysts for Selective Hydrogenation

Gianvito Vilé, Davide Albani · 2015

ChemCatChem

Metrics

132

Citations

45

References

Details

Published: Jan 24, 2014
Vol/Issue: 118(10)
Pages: 5352-5360

Authors

J

Javier Carrasco

Instituto de Catálisis y Petroleoquímica, CSIC, C/Marie Curie 2, 28049 Madrid, Spain; CIC Energigune, Albert Einstein 48, 01510 Miñano (Álava), Spain

G

Gianvito Vilé

Institute for Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 1, 8093 Zurich, Switzerland

D

Delia Fernández-Torre

Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, 28049 Madrid, Spain; Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid, Spain

R

Ruben Pérez

Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, 28049 Madrid, Spain; Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, 28049 Madrid, Spain

J

Javier Pérez-Ramírez

Institute for Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 1, 8093 Zurich, Switzerland

M

M. Veronica Ganduglia-Pirovano

Instituto de Catálisis y Petroleoquímica, CSIC, C/Marie Curie 2, 28049 Madrid, Spain

Cite This Article

Javier Carrasco, Gianvito Vilé, Delia Fernández-Torre, et al. (2014). Molecular-Level Understanding of CeO2 as a Catalyst for Partial Alkyne Hydrogenation. The Journal of Physical Chemistry C, 118(10), 5352-5360. https://doi.org/10.1021/jp410478c

Molecular-Level Understanding of CeO2 as a Catalyst for Partial Alkyne Hydrogenation

You May Also Like