Activation of Gold on Metal Carbides: Novel Catalysts for C1 Chemistry

Rodriguez, José A.

doi:10.3389/fchem.2019.00875

Title: Activation of Gold on Metal Carbides: Novel Catalysts for C1 Chemistry

Journal Article · Wed Jan 08 00:00:00 EST 2020 · Frontiers in Chemistry

DOI:https://doi.org/10.3389/fchem.2019.00875· OSTI ID:1581650

Rodriguez, José A.

This article presents a review of recent uses of Au-carbide interfaces as catalysts for C1 Chemistry (CO oxidation, low-temperature water-gas shift and CO₂ hydrogenation). The results of density-functional calculations and photoemission point to important electronic perturbations when small two-dimensional clusters of gold are bounded to the (001) surface of various transition metal carbides (TiC, ZrC, VC, Ta C and δ-MoC). On these surfaces, the C sites exhibited strong interactions with the gold clusters. On the carbide surfaces, the Au interacts stronger than on oxides opening the door for strong metal-support interactions. So far, most of the experimental studies with well-defined systems have been focused on the Au/TiC, Au/δ-MoC and Au/β-Mo₂C interfaces. Au/TiC and Au/ δ-MoC are active and stable catalysts for the low-temperature water-gas shift reaction and for the hydrogenation of CO₂ to methanol or CO. A systematic comparison of the behavior of Au/β-Mo₂C and Au/δ-MoC catalysts provides evidence of the impact of the metal/carbon ratio in the carbide on the performance of the catalysts. The present results show that this ratio governs the chemical behavior of the carbide and the properties of the admetal, up to the point of being able to switch the rate and mechanism of C1 processes.

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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). Chemical Sciences, Geosciences, and Biosciences Division

Grant/Contract Number:: SC0012704

OSTI ID:: 1581650

Alternate ID(s):: OSTI ID: 1579501

Report Number(s):: BNL-212411-2019-JAAM; 875

Journal Information:: Frontiers in Chemistry, Journal Name: Frontiers in Chemistry Vol. 7; ISSN 2296-2646

Publisher:: Frontiers Media SACopyright Statement

Country of Publication:: Switzerland

Language:: English

References (35)

Surface chemistry of carbon dioxide revisited Taifan, William; Boily, Jean-François; Baltrusaitis, Jonas Surface Science Reports, Vol. 71, Issue 4 https://doi.org/10.1016/j.surfrep.2016.09.001	journal	December 2016
Elucidating the role of oxygen coverage in CO 2 reduction on Mo 2 C Dixit, Mudit; Peng, Xi; Porosoff, Marc D. Catalysis Science & Technology, Vol. 7, Issue 23 https://doi.org/10.1039/C7CY01810J	journal	January 2017
Role of Au−C Interactions on the Catalytic Activity of Au Nanoparticles Supported on TiC(001) toward Molecular Oxygen Dissociation Rodríguez, José A.; Feria, Leticia; Jirsak, Tomas Journal of the American Chemical Society, Vol. 132, Issue 9 https://doi.org/10.1021/ja910146g	journal	March 2010
On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper Gokhale, Amit A.; Dumesic, James A.; Mavrikakis, Manos Journal of the American Chemical Society, Vol. 130, Issue 4 https://doi.org/10.1021/ja0768237	journal	January 2008
Catalysis by Gold: Isolated Surface Au3+ Ions are Active Sites for Selective Hydrogenation of 1,3-Butadiene over Au/ZrO2 Catalysts Zhang, Xin; Shi, Hui; Xu, Bo-Qing Angewandte Chemie International Edition, Vol. 44, Issue 43 https://doi.org/10.1002/anie.200502101	journal	November 2005
Highly Active Au/δ-MoC and Cu/δ-MoC Catalysts for the Conversion of CO ₂ : The Metal/C Ratio as a Key Factor Defining Activity, Selectivity, and Stability Posada-Pérez, Sergio; Ramírez, Pedro J.; Evans, Jaime Journal of the American Chemical Society, Vol. 138, Issue 26 https://doi.org/10.1021/jacs.6b04529	journal	June 2016
PHYSICS: The Active Site in Nanoparticle Gold Catalysis Campbell, C. T. Science, Vol. 306, Issue 5694 https://doi.org/10.1126/science.1104246	journal	October 2004
Charge Polarization at a Au-TiC Interface and the Generation of Highly Active and Selective Catalysts for the Low-Temperature Water-Gas Shift Reaction Rodriguez, José A.; Ramírez, Pedro J.; Asara, Gian Giacomo Angewandte Chemie International Edition, Vol. 53, Issue 42 https://doi.org/10.1002/anie.201407208	journal	September 2014
Why gold is the noblest of all the metals Hammer, B.; Norskov, J. K. Nature, Vol. 376, Issue 6537 https://doi.org/10.1038/376238a0	journal	July 1995
CO2 hydrogenation on Au/TiC, Cu/TiC, and Ni/TiC catalysts: Production of CO, methanol, and methane Rodriguez, José A.; Evans, Jaime; Feria, Leticia Journal of Catalysis, Vol. 307 https://doi.org/10.1016/j.jcat.2013.07.023	journal	November 2013
Effect of Ceria on Gold–Titania Catalysts for the Water–Gas Shift Reaction: Fundamental Studies for Au/CeO _x /TiO ₂ (110) and Au/CeO _x /TiO ₂ Powders Si, Rui; Tao, Jing; Evans, Jaime The Journal of Physical Chemistry C, Vol. 116, Issue 44 https://doi.org/10.1021/jp3089325	journal	October 2012
CO ₂ Activation and Methanol Synthesis on Novel Au/TiC and Cu/TiC Catalysts Vidal, Alba B.; Feria, Leticia; Evans, Jaime The Journal of Physical Chemistry Letters, Vol. 3, Issue 16 https://doi.org/10.1021/jz300989e	journal	August 2012
In situ gas-phase catalytic properties of TiC-supported size-selected gold nanoparticles synthesized by diblock copolymer encapsulation Ono, L. K.; Sudfeld, D.; Roldan Cuenya, B. Surface Science, Vol. 600, Issue 23 https://doi.org/10.1016/j.susc.2006.08.025	journal	December 2006
On the bonding and reactivity of CO2 on metal surfaces Freund, H. -J.; Messmer, R. P. Surface Science, Vol. 172, Issue 1 https://doi.org/10.1016/0039-6028(86)90580-7	journal	June 1986
Effects of carbon on the stability and chemical performance of transition metal carbides: A density functional study Liu, Ping; Rodriguez, José A. The Journal of Chemical Physics, Vol. 120, Issue 11 https://doi.org/10.1063/1.1647050	journal	March 2004
Local investigation of the electronic properties of size-selected Au nanoparticles by scanning tunneling spectroscopy Naitabdi, A.; Ono, L. K.; Roldan Cuenya, B. Applied Physics Letters, Vol. 89, Issue 4 https://doi.org/10.1063/1.2233601	journal	July 2006
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 Posada-Pérez, Sergio; Gutiérrez, Ramón A.; Zuo, Zhijun Catalysis Science & Technology, Vol. 7, Issue 22 https://doi.org/10.1039/C7CY00639J	journal	January 2017
Synthesis of α-MoC1-x and β-MoCy Catalysts for CO2 Hydrogenation by Thermal Carburization of Mo-oxide in Hydrocarbon and Hydrogen Mixtures Xu, Wenqian; Ramirez, Pedro J.; Stacchiola, Dario Catalysis Letters, Vol. 144, Issue 8 https://doi.org/10.1007/s10562-014-1278-5	journal	June 2014
The bending machine: CO ₂ activation and hydrogenation on δ-MoC(001) and β-Mo ₂ C(001) surfaces Posada-Pérez, Sergio; Viñes, Francesc; Ramirez, Pedro J. Phys. Chem. Chem. Phys., Vol. 16, Issue 28 https://doi.org/10.1039/C4CP01943A	journal	January 2014
Density functional theory study into the adsorption of CO2, H and CHx (x=0–3) as well as C2H4 on α-Mo2C(0001) Ren, Jun; Huo, Chun-Fang; Wang, Jianguo Surface Science, Vol. 600, Issue 11 https://doi.org/10.1016/j.susc.2006.03.027	journal	June 2006
Surface Chemistry of Transition Metal Carbides Hwu, Henry H.; Chen, Jingguang G. Chemical Reviews, Vol. 105, Issue 1 https://doi.org/10.1021/cr0204606	journal	January 2005
Surface chemistry of carbon dioxide Freund, H. -J.; Roberts, M. W. Surface Science Reports, Vol. 25, Issue 8 https://doi.org/10.1016/S0167-5729(96)00007-6	journal	January 1996
Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis Yang, Xiao-Feng; Wang, Aiqin; Qiao, Botao Accounts of Chemical Research, Vol. 46, Issue 8 https://doi.org/10.1021/ar300361m	journal	April 2013
Effect of the Support on the Electronic Structure of Au Nanoparticles Supported on Transition Metal Carbides: Choice of the Best Substrate for Au Activation Florez, Elizabeth; Feria, Leticia; Viñes, Francesc The Journal of Physical Chemistry C, Vol. 113, Issue 46 https://doi.org/10.1021/jp907043g	journal	October 2009
Active Nonmetallic Au and Pt Species on Ceria-Based Water-Gas Shift Catalysts Fu, Q. Science, Vol. 301, Issue 5635 https://doi.org/10.1126/science.1085721	journal	August 2003
Supported Single Pt ₁ /Au ₁ Atoms for Methanol Steam Reforming Gu, Xiang-Kui; Qiao, Botao; Huang, Chuan-Qi ACS Catalysis, Vol. 4, Issue 11 https://doi.org/10.1021/cs500740u	journal	October 2014
Transition metal carbides as novel materials for CO ₂ capture, storage, and activation Kunkel, Christian; Viñes, Francesc; Illas, Francesc Energy & Environmental Science, Vol. 9, Issue 1 https://doi.org/10.1039/C5EE03649F	journal	January 2016
CO, CO ₂ , and H ₂ Interactions with (0001) and (001) Tungsten Carbide Surfaces: Importance of Carbon and Metal Sites Koverga, Andrey A.; Flórez, Elizabeth; Dorkis, Ludovic The Journal of Physical Chemistry C, Vol. 123, Issue 14 https://doi.org/10.1021/acs.jpcc.8b11840	journal	March 2019
Adsorption of gold on TiC(001): Au–C interactions and charge polarization Rodriguez, J. A.; Viñes, F.; Illas, F. The Journal of Chemical Physics, Vol. 127, Issue 21 https://doi.org/10.1063/1.2814246	journal	December 2007
Atomic-layered Au clusters on α-MoC as catalysts for the low-temperature water-gas shift reaction Yao, Siyu; Zhang, Xiao; Zhou, Wu Science, Vol. 357, Issue 6349 https://doi.org/10.1126/science.aah4321	journal	June 2017
CO2 Hydrogenation over Carbide Catalysts. Dubois, Jean-Luc; Sayama, Kazuhiro; Arakawa, Hironori Chemistry Letters, Issue 1 https://doi.org/10.1246/cl.1992.5	journal	January 1992
Gold catalysts for pure hydrogen production in the water–gas shift reaction: activity, structure and reaction mechanism Burch, Robbie Phys. Chem. Chem. Phys., Vol. 8, Issue 47 https://doi.org/10.1039/B607837K	journal	January 2006
Effect of interparticle interaction on the low temperature oxidation of CO over size-selected Au nanocatalysts supported on ultrathin TiC films Ono, Luis K.; Roldán-Cuenya, Beatriz Catalysis Letters, Vol. 113, Issue 3-4 https://doi.org/10.1007/s10562-007-9027-7	journal	February 2007
Kinetics and mechanism of the water-gas shift reaction catalysed by the clean and Cs-promoted Cu(110) surface: a comparison with Cu(111) Nakamura, Junji; Campbell, Joseph M.; Campbell, Charles T. Journal of the Chemical Society, Faraday Transactions, Vol. 86, Issue 15 https://doi.org/10.1039/ft9908602725	journal	January 1990
Classification of chemical bonds based on topological analysis of electron localization functions Silvi, B.; Savin, A. Nature, Vol. 371, Issue 6499 https://doi.org/10.1038/371683a0	journal	October 1994

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