Synergistic Catalysis between Pd and Fe in Gas Phase Hydrodeoxygenation of m-Cresol

Hong, Yongchun; Zhang, He; Sun, Junming; Karim, Ayman M.; Hensley, Alyssa; Gu, Meng; Engelhard, Mark H.; McEwen, Jean-Sabin; Wang, Yong

doi:10.1021/cs500578g

Title: Synergistic Catalysis between Pd and Fe in Gas Phase Hydrodeoxygenation of m-Cresol

Journal Article · Fri Oct 31 00:00:00 EDT 2014 · ACS Catalysis, 4(10):3335-3345

DOI:https://doi.org/10.1021/cs500578g· OSTI ID:1170077

Hong, Yongchun; Zhang, He; Sun, Junming; Karim, Ayman M.; Hensley, Alyssa; Gu, Meng; Engelhard, Mark H.; McEwen, Jean-Sabin; Wang, Yong

In this work, a series of Pd/Fe2O3 catalysts were synthesized, characterized, and evaluated for the hydrodeoxygenation (HDO) of m-cresol. It was found that the addition of Pd remarkably promotes the catalytic activity of Fe while the product distributions resemble that of monometallic Fe catalyst, showing high selectivity towards the production of toluene (C-O cleavage without saturation of aromatic ring and C-C cleavage). Reduced catalysts featured with Pd patches on the top of reduced Fe nanoparticle surface, and the interaction between Pd and Fe was further confirmed using X-ray photoelectron spectroscopy (XPS), scanning transmission electron microscopy (STEM) and X-ray absorption near edge fine structure (XANES). A possible mechanism, including Pd assisted H2 dissociation and Pd facilitated stabilization of metallic Fe surface as well as Pd enhanced product desorption, is proposed to be responsible for the high activity and HDO selectivity in Pd-Fe catalysts. The synergic catalysis derived from Pd-Fe interaction found in this work was proved to be applicable to other precious metal promoted Fe catalysts, providing a promising strategy for future design of highly active and selective HDO catalysts.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1170077

Report Number(s):: PNNL-SA-102420; 47660; KC0302010

Journal Information:: ACS Catalysis, 4(10):3335-3345, Journal Name: ACS Catalysis, 4(10):3335-3345

Country of Publication:: United States

Language:: English

References (64)

Synthesis of Transportation Fuels from Biomass: Chemistry, Catalysts, and Engineering Huber, George W.; Iborra, Sara; Corma, Avelino Chemical Reviews, Vol. 106, Issue 9, p. 4044-4098 https://doi.org/10.1021/cr068360d	journal	September 2006
Study of oxygenated biomass fuel blends on a diesel engine Chen, Hu; Wang, Jianxin; Shuai, Shijin Fuel, Vol. 87, Issue 15-16 https://doi.org/10.1016/j.fuel.2008.04.034	journal	November 2008
A review of catalytic upgrading of bio-oil to engine fuels Mortensen, P. M.; Grunwaldt, J.-D.; Jensen, P. A. Applied Catalysis A: General, Vol. 407, Issue 1-2, p. 1-19 https://doi.org/10.1016/j.apcata.2011.08.046	journal	November 2011
Biorefineries: Current Status, Challenges, and Future Direction Fernando, Sandun; Adhikari, Sushil; Chandrapal, Chauda Energy & Fuels, Vol. 20, Issue 4, p. 1727-1737 https://doi.org/10.1021/ef060097w	journal	July 2006
Historical Developments in Hydroprocessing Bio-oils Elliott, Douglas C. Energy & Fuels, Vol. 21, Issue 3, p. 1792-1815 https://doi.org/10.1021/ef070044u	journal	May 2007
Competitive liquid biofuels from biomass Demirbas, Ayhan Applied Energy, Vol. 88, Issue 1 https://doi.org/10.1016/j.apenergy.2010.07.016	journal	January 2011
Phenols from Lignin Kleinert, M.; Barth, T. Chemical Engineering & Technology, Vol. 31, Issue 5, p. 736-745 https://doi.org/10.1002/ceat.200800073	journal	May 2008
Towards Quantitative Catalytic Lignin Depolymerization Roberts, Virginia. M.; Stein, Valentin; Reiner, Thomas Chemistry - A European Journal, Vol. 17, Issue 21, p. 5939-5948 https://doi.org/10.1002/chem.201002438	journal	April 2011
Fluorinated hydrotreatment catalysts Kordulis, Ch.; Gouromihou, A.; Lycourghiotis, A. Applied Catalysis, Vol. 67, Issue 1 https://doi.org/10.1016/S0166-9834(00)84430-9	journal	January 1990
Study of hydrodesulfurization by the use of sulfur-35-labeled dibenzothiophene. 2. Behavior of sulfur in hydrodesulfurization, hydrodeoxygenation, and hydrodenitrogenation on a sulfided molybdenum/alumina catalyst Kabe, Toshiaki; Qian, Weihua; Ishihara, Atsushi The Journal of Physical Chemistry, Vol. 98, Issue 3 https://doi.org/10.1021/j100054a028	journal	January 1994
Hydrogen Activation on Mo-Based Sulfide Catalysts, a Periodic DFT Study Travert, Arnaud; Nakamura, Hiroyuki; van Santen, Rutger A. Journal of the American Chemical Society, Vol. 124, Issue 24 https://doi.org/10.1021/ja011634o	journal	June 2002
Influence of water in the deactivation of a sulfided NiMo/γ-Al2O3 catalyst during hydrodeoxygenation Laurent, E.; Delmon, B. Journal of Catalysis, Vol. 146, Issue 1 https://doi.org/10.1016/0021-9517(94)90032-9	journal	March 1994
Influences of the Hydrogen Sulfide Partial Pressure and of a Nitrogen Compound on the Hydrodeoxygenation Activity of a CoMo/Carbon Catalyst Ferrari, Maria; Maggi, Rosanna; Delmon, Bernard Journal of Catalysis, Vol. 198, Issue 1 https://doi.org/10.1006/jcat.2000.3103	journal	February 2001
Effect of H2S on the stability of CoMo/Al2O3 catalysts during hydrodeoxygenation Viljava, T. Catalysis Today, Vol. 60, Issue 1-2 https://doi.org/10.1016/S0920-5861(00)00320-5	journal	July 2000
Hydrodeoxygenation of guaiacol Bui, Van Ngoc; Laurenti, Dorothée; Delichère, Pierre Applied Catalysis B: Environmental, Vol. 101, Issue 3-4 https://doi.org/10.1016/j.apcatb.2010.10.031	journal	January 2011
Influence of the Support of CoMo Sulfide Catalysts and of the Addition of Potassium and Platinum on the Catalytic Performances for the Hydrodeoxygenation of Carbonyl, Carboxyl, and Guaiacol-Type Molecules Centeno, A.; Laurent, E.; Delmon, B. Journal of Catalysis, Vol. 154, Issue 2 https://doi.org/10.1006/jcat.1995.1170	journal	July 1995
CoMo/carbon hydrodeoxygenation catalysts: influence of the hydrogen sulfide partial pressure and of the sulfidation temperature Ferrari, M.; Bosmans, S.; Maggi, R. Catalysis Today, Vol. 65, Issue 2-4 https://doi.org/10.1016/S0920-5861(00)00559-9	journal	February 2001
Gas-phase hydrodeoxygenation of guaiacol over iron-based catalysts. Effect of gases composition, iron load and supports (silica and activated carbon) Olcese, R.; Bettahar, M. M.; Malaman, B. Applied Catalysis B: Environmental, Vol. 129 https://doi.org/10.1016/j.apcatb.2012.09.043	journal	January 2013
Gas-phase hydrodeoxygenation of guaiacol over Fe/SiO2 catalyst Olcese, R. N.; Bettahar, M.; Petitjean, D. Applied Catalysis B: Environmental, Vol. 115-116 https://doi.org/10.1016/j.apcatb.2011.12.005	journal	April 2012
Carbon-supported bimetallic Pd–Fe catalysts for vapor-phase hydrodeoxygenation of guaiacol Sun, Junming; Karim, Ayman M.; Zhang, He Journal of Catalysis, Vol. 306 https://doi.org/10.1016/j.jcat.2013.05.020	journal	October 2013
$H_{2}$ dissociative adsorption on Pd(111) Dong, W.; Hafner, J. Physical Review B, Vol. 56, Issue 23 https://doi.org/10.1103/PhysRevB.56.15396	journal	December 1997
Ab initio study of the dissociative adsorption of H2 on the Pd(110) surface Ledentu, V.; Dong, W.; Sautet, P. Surface Science, Vol. 412-413 https://doi.org/10.1016/S0039-6028(98)00482-8	journal	September 1998
Hydrodeoxygenation of guaiacol on noble metal catalysts Gutierrez, A.; Kaila, R. K.; Honkela, M. L. Catalysis Today, Vol. 147, Issue 3-4 https://doi.org/10.1016/j.cattod.2008.10.037	journal	October 2009
Catalytic Hydrodeoxygenation of Guaiacol on Rh-Based and Sulfided CoMo and NiMo Catalysts Lin, Yu-Chuan; Li, Chia-Liang; Wan, Hou-Peng Energy & Fuels, Vol. 25, Issue 3 https://doi.org/10.1021/ef101521z	journal	March 2011
Aromatic Chemicals by Iron-Catalyzed Hydrotreatment of Lignin Pyrolysis Vapor Olcese, Roberto Nicolas; Lardier, George; Bettahar, Mohammed ChemSusChem, Vol. 6, Issue 8 https://doi.org/10.1002/cssc.201300191	journal	June 2013
Hydrodeoxygenation of Guaiacol, A Surrogate of Lignin Pyrolysis Vapors, Over Iron Based Catalysts: Kinetics and Modeling of the Lignin to Aromatics Integrated Process Olcese, R. N.; Francois, J.; Bettahar, M. M. Energy & Fuels, Vol. 27, Issue 2 https://doi.org/10.1021/ef301971a	journal	January 2013
Fischer-Tropsch synthesis catalysts based on Fe oxide precursors modified by Cu and K: structure and site requirements Li, Senzi; Meitzner, George D.; Iglesia, Enrique Natural Gas Conversion VI https://doi.org/10.1016/S0167-2991(01)80334-7	book	January 2001
In Situ X-ray Absorption Fine Structure Studies on the Effect of pH on Pt Electronic Density during Aqueous Phase Reforming of Glycerol Karim, Ayman M.; Howard, Christopher; Roberts, Benjamin ACS Catalysis, Vol. 2, Issue 11 https://doi.org/10.1021/cs3005049	journal	September 2012
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Ravel, B.; Newville, M. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/S0909049505012719	journal	June 2005
EXAFS analysis using FEFF and FEFFIT Newville, Matthew Journal of Synchrotron Radiation, Vol. 8, Issue 2 https://doi.org/10.1107/S0909049500016290	journal	March 2001
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction Tereshchuk, Polina; Da Silva, Juarez L. F. The Journal of Physical Chemistry C, Vol. 116, Issue 46 https://doi.org/10.1021/jp308870d	journal	November 2012
Surface segregation energies in transition-metal alloys Ruban, A. V.; Skriver, H. L.; Nørskov, J. K. Physical Review B, Vol. 59, Issue 24 https://doi.org/10.1103/PhysRevB.59.15990	journal	June 1999
Surface segregation energies in low-index open surfaces of bimetallic transition metal alloys Nilekar, Anand Udaykumar; Ruban, Andrei V.; Mavrikakis, Manos Surface Science, Vol. 603, Issue 1 https://doi.org/10.1016/j.susc.2008.10.029	journal	January 2009
The surface energy of metals Vitos, L.; Ruban, A. V.; Skriver, H. L. Surface Science, Vol. 411, Issue 1-2 https://doi.org/10.1016/S0039-6028(98)00363-X	journal	August 1998
Structural properties of Fe crystals Zhong, W.; Overney, G.; Toma´nek, D. Physical Review B, Vol. 47, Issue 1 https://doi.org/10.1103/PhysRevB.47.95	journal	January 1993
Enhanced Fe ₂ O ₃ Reducibility via Surface Modification with Pd: Characterizing the Synergy within Pd/Fe Catalysts for Hydrodeoxygenation Reactions Hensley, Alyssa J. R.; Hong, Yongchun; Zhang, Renqin ACS Catalysis, Vol. 4, Issue 10 https://doi.org/10.1021/cs500565e	journal	September 2014
The Scherrer Formula for X-Ray Particle Size Determination Patterson, A. L. Physical Review, Vol. 56, Issue 10 https://doi.org/10.1103/PhysRev.56.978	journal	November 1939
Tailoring the Adsorption of Benzene on PdFe Surfaces: A Density Functional Theory Study Hensley, Alyssa J. R.; Zhang, Renqin; Wang, Yong The Journal of Physical Chemistry C, Vol. 117, Issue 46 https://doi.org/10.1021/jp406425q	journal	November 2013
Characterization of a Pd–Fe bimetallic model catalyst Felicissimo, Marcella P.; Martyanov, Oleg N.; Risse, Thomas Surface Science, Vol. 601, Issue 10 https://doi.org/10.1016/j.susc.2007.02.023	journal	May 2007
Combination analysis of metal oxides using ESCA, AES, and SIMS Conner, G. R. Journal of Vacuum Science and Technology, Vol. 15, Issue 2 https://doi.org/10.1116/1.569543	journal	March 1978
Photoelectron spectra of an ${Al}_{70}$ ${Pd}_{21}$ ${Mn}_{9}$ quasicrystal and the cubic alloy ${Al}_{60}$ ${Pd}_{25}$ ${Mn}_{15}$ Jenks, C. J.; Chang, S. -L.; Anderegg, J. W. Physical Review B, Vol. 54, Issue 9 https://doi.org/10.1103/PhysRevB.54.6301	journal	September 1996
A non-syn-gas catalytic route to methanol production Wu, Cheng-Tar; Yu, Kai Man Kerry; Liao, Fenglin Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms2053	journal	January 2012
Photoemission and Mössbauer Effect Studies of Sputter-Deposited Fe-Pd Alloys Zhang, S. L.; Zhang, J. R. physica status solidi (b), Vol. 182, Issue 2 https://doi.org/10.1002/pssb.2221820219	journal	April 1994
Selective catalytic hydroalkylation and deoxygenation of substituted phenols to bicycloalkanes Zhao, Chen; Camaioni, Donald M.; Lercher, Johannes A. Journal of Catalysis, Vol. 288 https://doi.org/10.1016/j.jcat.2012.01.005	journal	April 2012
Aqueous-phase hydrodeoxygenation of bio-derived phenols to cycloalkanes Zhao, Chen; He, Jiayue; Lemonidou, Angeliki A. Journal of Catalysis, Vol. 280, Issue 1 https://doi.org/10.1016/j.jcat.2011.02.001	journal	May 2011
Synergy between Pt and Au in Pt-on-Au Nanostructures for Chemoselective Hydrogenation Catalysis Sun, Ke-Qiang; Hong, Yong-Chun; Zhang, Gui-Rong ACS Catalysis, Vol. 1, Issue 10 https://doi.org/10.1021/cs200247r	journal	September 2011
Fully dispersed Pt entities on nano-Au dramatically enhance the activity of gold for chemoselective hydrogenation catalysis Hong, Yong-Chun; Sun, Ke-Qiang; Zhang, Gui-Rong Chem. Commun., Vol. 47, Issue 4 https://doi.org/10.1039/C0CC03790G	journal	January 2011
Thermodynamics of the reduction of iron oxide powders with hydrogen Rau, H. The Journal of Chemical Thermodynamics, Vol. 4, Issue 1 https://doi.org/10.1016/S0021-9614(72)80008-9	journal	January 1972
Measurements of the relative number of active sites on iron catalyst for ammonia synthesis by hydrogen desorption Arabczyk, Walerian; Jasińska, Izabella; Pelka, Rafał Catalysis Today, Vol. 169, Issue 1 https://doi.org/10.1016/j.cattod.2010.09.003	journal	July 2011
Effect of an Iron Oxide Precursor on the H ₂ Desorption Performance for an Ammonia Synthesis Catalyst Huazhang, Liu; Caibo, Liu; Xiaonian, Li Industrial & Engineering Chemistry Research, Vol. 42, Issue 7 https://doi.org/10.1021/ie0202524	journal	April 2003
Design of highly active and chemoselective bimetallic gold–platinum hydrogenation catalysts through kinetic and isotopic studies Serna, Pedro; Concepción, Patricia; Corma, Avelino Journal of Catalysis, Vol. 265, Issue 1 https://doi.org/10.1016/j.jcat.2009.04.004	journal	July 2009
Origin of the Different Activity and Selectivity toward Hydrogenation of Single Metal Au and Pt on TiO ₂ and Bimetallic Au−Pt/TiO ₂ Catalysts ^† Boronat, Mercedes; Corma, Avelino Langmuir, Vol. 26, Issue 21 https://doi.org/10.1021/la101752a	journal	November 2010
Tuning the Behavior of Au and Pt Catalysts for the Chemoselective Hydrogenation of Nitroaromatic Compounds Serna, Pedro; Boronat, Mercedes; Corma, Avelino Topics in Catalysis, Vol. 54, Issue 5-7 https://doi.org/10.1007/s11244-011-9668-z	journal	February 2011
Improved Pd-on-Au bimetallic nanoparticle catalysts for aqueous-phase trichloroethene hydrodechlorination Nutt, Michael O.; Heck, Kimberly N.; Alvarez, Pedro Applied Catalysis B: Environmental, Vol. 69, Issue 1-2 https://doi.org/10.1016/j.apcatb.2006.06.005	journal	December 2006
Designing Pd-on-Au Bimetallic Nanoparticle Catalysts for Trichloroethene Hydrodechlorination Nutt, Michael O.; Hughes, Joseph B.; Wong, Michael S. Environmental Science & Technology, Vol. 39, Issue 5 https://doi.org/10.1021/es048560b	journal	March 2005
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
An Efficient and Chemoselective Iron Catalyst for the Hydrogenation of Ketones Casey, Charles P.; Guan, Hairong Journal of the American Chemical Society, Vol. 129, Issue 18 https://doi.org/10.1021/ja071159f	journal	May 2007
Catalytic Hydrogen Treatment of Aromatic Alcohols Shin, Eun-Jae; Keane, Mark A. Journal of Catalysis, Vol. 173, Issue 2 https://doi.org/10.1006/jcat.1997.1920	journal	January 1998
The sticking probability for H2 on some transition metals at a hydrogen pressure of 1bar Johansson, M.; Lytken, O.; Chorkendorff, I. The Journal of Chemical Physics, Vol. 128, Issue 3 https://doi.org/10.1063/1.2825296	journal	January 2008
Interaction of hydrogen with solid surfaces Christmann, K. Surface Science Reports, Vol. 9, Issue 1-3 https://doi.org/10.1016/0167-5729(88)90009-X	journal	July 1988
H ₂ dissociation on individual Pd atoms deposited on Cu(111) Ramos, M.; Martínez, A. E.; Busnengo, H. F. Phys. Chem. Chem. Phys., Vol. 14, Issue 1 https://doi.org/10.1039/C1CP22163A	journal	January 2012
Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations Kyriakou, Georgios; Boucher, Matthew B.; Jewell, April D. Science, Vol. 335, Issue 6073 https://doi.org/10.1126/science.1215864	journal	March 2012

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