DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Highly active Pt/MoC and Pt/TiC catalysts for the low-temperature water-gas shift reaction: Effects of the carbide metal/carbon ratio on the catalyst performance

Abstract

We present that Pt/MoC and Pt/TiC(001) are excellent catalysts for the low-temperature water-gas shift (WGS, CO + H2O → H2 + CO2) reaction. They exhibit high-activity, stability and selectivity. The highest catalytic activities are seen for small coverages of Pt on the carbide substrates. Synergistic effects at the metal-carbide interface produce an enhancement in chemical activity with respect to pure Pt, MoC and TiC. A clear correlation is found between the ability of the Pt/MoC and Pt/TiC(001) surfaces to partially dissociate water and their catalytic activity for the WGS reaction. Finally, an overall comparison of the results for Pt/MoC and Pt/Mo2C(001) indicates that the metal/carbon ratio in the carbide support can have a strong influence in the stability and selectivity of WGS catalysts and is a parameter that must be taken into consideration when designing these systems.

Authors:
 [1];  [2];  [3]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Department
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Department; Central University of Venezuela (Venezuela). Faculty of Science
  3. Central University of Venezuela (Venezuela). Faculty of Science
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1376160
Alternate Identifier(s):
OSTI ID: 1414786
Report Number(s):
BNL-114117-2017-JA
Journal ID: ISSN 0920-5861; R&D Project: CO040; KC0302010
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Catalysis Today
Additional Journal Information:
Journal Volume: 289; Journal ID: ISSN 0920-5861
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Water; Water-gas shift; Hydrogen production; Platinum; Molybdenum carbide; Titanium carbide

Citation Formats

Rodriguez, José A., Ramírez, Pedro J., and Gutierrez, Ramón A. Highly active Pt/MoC and Pt/TiC catalysts for the low-temperature water-gas shift reaction: Effects of the carbide metal/carbon ratio on the catalyst performance. United States: N. p., 2016. Web. doi:10.1016/j.cattod.2016.09.020.
Rodriguez, José A., Ramírez, Pedro J., & Gutierrez, Ramón A. Highly active Pt/MoC and Pt/TiC catalysts for the low-temperature water-gas shift reaction: Effects of the carbide metal/carbon ratio on the catalyst performance. United States. https://doi.org/10.1016/j.cattod.2016.09.020
Rodriguez, José A., Ramírez, Pedro J., and Gutierrez, Ramón A. Tue . "Highly active Pt/MoC and Pt/TiC catalysts for the low-temperature water-gas shift reaction: Effects of the carbide metal/carbon ratio on the catalyst performance". United States. https://doi.org/10.1016/j.cattod.2016.09.020. https://www.osti.gov/servlets/purl/1376160.
@article{osti_1376160,
title = {Highly active Pt/MoC and Pt/TiC catalysts for the low-temperature water-gas shift reaction: Effects of the carbide metal/carbon ratio on the catalyst performance},
author = {Rodriguez, José A. and Ramírez, Pedro J. and Gutierrez, Ramón A.},
abstractNote = {We present that Pt/MoC and Pt/TiC(001) are excellent catalysts for the low-temperature water-gas shift (WGS, CO + H2O → H2 + CO2) reaction. They exhibit high-activity, stability and selectivity. The highest catalytic activities are seen for small coverages of Pt on the carbide substrates. Synergistic effects at the metal-carbide interface produce an enhancement in chemical activity with respect to pure Pt, MoC and TiC. A clear correlation is found between the ability of the Pt/MoC and Pt/TiC(001) surfaces to partially dissociate water and their catalytic activity for the WGS reaction. Finally, an overall comparison of the results for Pt/MoC and Pt/Mo2C(001) indicates that the metal/carbon ratio in the carbide support can have a strong influence in the stability and selectivity of WGS catalysts and is a parameter that must be taken into consideration when designing these systems.},
doi = {10.1016/j.cattod.2016.09.020},
journal = {Catalysis Today},
number = ,
volume = 289,
place = {United States},
year = {Tue Sep 20 00:00:00 EDT 2016},
month = {Tue Sep 20 00:00:00 EDT 2016}
}

Journal Article:

Citation Metrics:
Cited by: 25 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Activation of noble metals on metal-carbide surfaces: novel catalysts for CO oxidation, desulfurization and hydrogenation reactions
journal, January 2012

  • Rodriguez, José A.; Illas, Francesc
  • Phys. Chem. Chem. Phys., Vol. 14, Issue 2
  • DOI: 10.1039/C1CP22738F

Water-Gas-Shift Reaction on Molybdenum Carbide Surfaces:  Essential Role of the Oxycarbide
journal, October 2006

  • Liu, Ping; Rodriguez, José A.
  • The Journal of Physical Chemistry B, Vol. 110, Issue 39
  • DOI: 10.1021/jp0621629

Mechanism for the water–gas shift reaction on monofunctional platinum and cause of catalyst deactivation
journal, September 2011


Water–gas shift catalysis over transition metals supported on molybdenum carbide
journal, November 2015


On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper
journal, January 2008

  • Gokhale, Amit A.; Dumesic, James A.; Mavrikakis, Manos
  • Journal of the American Chemical Society, Vol. 130, Issue 4
  • DOI: 10.1021/ja0768237

Water-gas-shift reaction on metal nanoparticles and surfaces
journal, April 2007

  • Liu, Ping; Rodriguez, José A.
  • The Journal of Chemical Physics, Vol. 126, Issue 16
  • DOI: 10.1063/1.2722747

Charge Polarization at a Au-TiC Interface and the Generation of Highly Active and Selective Catalysts for the Low-Temperature Water-Gas Shift Reaction
journal, September 2014

  • Rodriguez, José A.; Ramírez, Pedro J.; Asara, Gian Giacomo
  • Angewandte Chemie International Edition, Vol. 53, Issue 42
  • DOI: 10.1002/anie.201407208

A kinetic model of the water gas shift reaction
journal, April 1992


Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends
journal, February 2014

  • Fajín, José L. C.; D. S. Cordeiro, M. Natália; Gomes, José R. B.
  • The Journal of Physical Chemistry A, Vol. 118, Issue 31
  • DOI: 10.1021/jp411500j

A New Type of Strong Metal–Support Interaction and the Production of H 2 through the Transformation of Water on Pt/CeO 2 (111) and Pt/CeO x /TiO 2 (110) Catalysts
journal, May 2012

  • Bruix, Albert; Rodriguez, José A.; Ramírez, Pedro J.
  • Journal of the American Chemical Society, Vol. 134, Issue 21
  • DOI: 10.1021/ja302070k

Water Dissociation on Bimetallic Surfaces: General Trends
journal, April 2012

  • Fajín, José L. C.; Cordeiro, M. Natália D. S.; Gomes, José R. B.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 18
  • DOI: 10.1021/jp3017002

Theoretical Analysis of the Adsorption of Late Transition-Metal Atoms on the (001) Surface of Early Transition-Metal Carbides
journal, December 2009

  • Gómez, Tatiana; Florez, Elizabeth; Rodriguez, José A.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 3
  • DOI: 10.1021/jp910273z

Effects of carbon on the stability and chemical performance of transition metal carbides: A density functional study
journal, March 2004

  • Liu, Ping; Rodriguez, José A.
  • The Journal of Chemical Physics, Vol. 120, Issue 11
  • DOI: 10.1063/1.1647050

High Activity Carbide Supported Catalysts for Water Gas Shift
journal, March 2011

  • Schweitzer, Neil M.; Schaidle, Joshua A.; Ezekoye, Obiefune K.
  • Journal of the American Chemical Society, Vol. 133, Issue 8
  • DOI: 10.1021/ja110705a

The bending machine: CO 2 activation and hydrogenation on δ-MoC(001) and β-Mo 2 C(001) surfaces
journal, January 2014

  • Posada-Pérez, Sergio; Viñes, Francesc; Ramirez, Pedro J.
  • Phys. Chem. Chem. Phys., Vol. 16, Issue 28
  • DOI: 10.1039/C4CP01943A

Molybdenum Carbide Water–Gas Shift Catalyst for Fuel Cell-Powered Vehicles Applications
journal, January 2004


Desulfurization Reactions on Ni 2 P(001) and α-Mo 2 C(001) Surfaces:  Complex Role of P and C Sites
journal, March 2005

  • Liu, Ping; Rodriguez, José A.; Asakura, Takeshi
  • The Journal of Physical Chemistry B, Vol. 109, Issue 10
  • DOI: 10.1021/jp044301x

Water Gas Shift Reaction on Cu and Au Nanoparticles Supported on CeO2(111) and ZnO(000): Intrinsic Activity and Importance of Support Interactions
journal, February 2007

  • Rodriguez, José A.; Liu, Ping; Hrbek, Jan
  • Angewandte Chemie International Edition, Vol. 46, Issue 8
  • DOI: 10.1002/anie.200603931

Hydroxyl groups on oxide surfaces: NiO(100), NiO(111) and Cr2O3(111)
journal, November 1993


Preparation and catalytic properties of transition metal carbides and nitrides
journal, June 1992


Intermediates Arising from the Water–Gas Shift Reaction over Cu Surfaces: From UHV to Near Atmospheric Pressures
journal, March 2015

  • Mudiyanselage, K.; Senanayake, S. D.; Ramirez, P. J.
  • Topics in Catalysis, Vol. 58, Issue 4-6
  • DOI: 10.1007/s11244-015-0368-y

Mechanism of the Water Gas Shift Reaction on Pt:  First Principles, Experiments, and Microkinetic Modeling
journal, March 2008

  • Grabow, Lars C.; Gokhale, Amit A.; Evans, Steven T.
  • The Journal of Physical Chemistry C, Vol. 112, Issue 12
  • DOI: 10.1021/jp7099702

Kinetics and mechanism of the water-gas shift reaction catalysed by the clean and Cs-promoted Cu(110) surface: a comparison with Cu(111)
journal, January 1990

  • Nakamura, Junji; Campbell, Joseph M.; Campbell, Charles T.
  • Journal of the Chemical Society, Faraday Transactions, Vol. 86, Issue 15
  • DOI: 10.1039/ft9908602725

Works referencing / citing this record:

Highly active Au/δ-MoC and Au/β-Mo 2 C catalysts for the low-temperature water gas shift reaction: effects of the carbide metal/carbon ratio on the catalyst performance
journal, January 2017

  • Posada-Pérez, Sergio; Gutiérrez, Ramón A.; Zuo, Zhijun
  • Catalysis Science & Technology, Vol. 7, Issue 22
  • DOI: 10.1039/c7cy00639j

A highly CO-tolerant atomically dispersed Pt catalyst for chemoselective hydrogenation
journal, February 2019