Relationship between Atomic Scale Structure and Reactivity of Pt Catalysts: Hydrodeoxygenation of m -Cresol over Isolated Pt Cations and Clusters

Resasco, Joaquin; Yang, Feifei; Mou, Tong; Wang, Bin; Christopher, Phillip; Resasco, Daniel E.

doi:10.1021/acscatal.9b04330

Relationship between Atomic Scale Structure and Reactivity of Pt Catalysts: Hydrodeoxygenation of m -Cresol over Isolated Pt Cations and Clusters

Journal Article · Mon Nov 04 04:00:00 EST 2019 · ACS Catalysis

DOI:https://doi.org/10.1021/acscatal.9b04330· OSTI ID:1803343

Resasco, Joaquin ^[1]; Yang, Feifei ^[2]; ^[2]; ^[2]; ^[3]; ^[2]

Department of Chemical Engineering, University of California, Santa Barbara, Santa Barbara, California 93106, United States; OSTI
School of Chemical, Biological, and Materials Engineering and Center for Interfacial Reaction Engineering, University of Oklahoma, Norman, Oklahoma 73019, United States
Department of Chemical Engineering, University of California, Santa Barbara, Santa Barbara, California 93106, United States

Not provided.

Research Organization:: Univ. of Oklahoma, Norman, OK (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0018284

OSTI ID:: 1803343

Journal Information:: ACS Catalysis, Journal Name: ACS Catalysis Journal Issue: 1 Vol. 10; ISSN 2155-5435

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

References (56)

Experimental and First-Principles Evidence for Interfacial Activity of Ru/TiO ₂ for the Direct Conversion of m -Cresol to Toluene Omotoso, Taiwo O.; Baek, Byeongjin; Grabow, Lars C. ChemCatChem, Vol. 9, Issue 14 https://doi.org/10.1002/cctc.201701112	journal	July 2017
Selective Hydrodeoxygenation of Biomass-Derived Oxygenates to Unsaturated Hydrocarbons using Molybdenum Carbide Catalysts Ren, Hui; Yu, Weiting; Salciccioli, Michael ChemSusChem, Vol. 6, Issue 5 https://doi.org/10.1002/cssc.201200991	journal	April 2013
Understanding the Influence of the Pretreatment Procedure on Platinum Particle Size and Particle-Size Distribution for SiO2 Impregnated with [Pt2+(NH3)4](NO3−)2: A Combination of HRTEM, Mass Spectrometry, and Quick EXAFS Oudenhuijzen, M. K.; Kooyman, P. J.; Tappel, B. Journal of Catalysis, Vol. 205, Issue 1 https://doi.org/10.1006/jcat.2001.3433	journal	January 2002
The catalytic oxidation of CO and structure insensitivity Boudart, M.; Rumpf, F. Reaction Kinetics and Catalysis Letters, Vol. 35, Issue 1-2 https://doi.org/10.1007/bf02062147	journal	March 1987
Role of Oxophilic Supports in the Selective Hydrodeoxygenation of m-Cresol on Pd Catalysts de Souza, Priscilla M.; Nie, Lei; Borges, Luiz E. P. Catalysis Letters, Vol. 144, Issue 12 https://doi.org/10.1007/s10562-014-1337-y	journal	September 2014
Catalytic hydrogenation of cyclohexene3. Gas-phase and liquid-phase reaction on supported palladium Gonzo, E.; Boudart, M. Journal of Catalysis, Vol. 52, Issue 3 https://doi.org/10.1016/0021-9517(78)90352-4	journal	May 1978
Correlation of cyclohexene reactions on platinum crystal surfaces over a ten-order-of-magnitude pressure range *1Variations of structure sensitivity, rates, and reaction probabilities Davis, S. Journal of Catalysis, Vol. 65, Issue 1 https://doi.org/10.1016/0021-9517(80)90279-1	journal	September 1980
Fischer-Tropsch synthesis on cobalt and ruthenium. Metal dispersion and support effects on reaction rate and selectivity Iglesia, E. Journal of Catalysis, Vol. 137, Issue 1 https://doi.org/10.1016/0021-9517(92)90150-g	journal	September 1992
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Evaluating strategies for catalytic upgrading of pyrolysis oil in liquid phase Pham, Tu Nguyet; Shi, Dachuan; Resasco, Daniel E. Applied Catalysis B: Environmental, Vol. 145 https://doi.org/10.1016/j.apcatb.2013.01.002	journal	February 2014
Controlling phenolic hydrodeoxygenation by tailoring metal–O bond strength via specific catalyst metal type and particle size selection Duong, Nhung; Tan, Qiaohua; Resasco, Daniel E. Comptes Rendus Chimie, Vol. 21, Issue 3-4 https://doi.org/10.1016/j.crci.2017.07.008	journal	March 2018
Kinetics and mechanism of m-cresol hydrodeoxygenation on a Pt/SiO2 catalyst Nie, Lei; Resasco, Daniel E. Journal of Catalysis, Vol. 317 https://doi.org/10.1016/j.jcat.2014.05.024	journal	August 2014
Selective vapor-phase hydrodeoxygenation of anisole to benzene on molybdenum carbide catalysts Lee, Wen-Sheng; Wang, Zhenshu; Wu, Ryan J. Journal of Catalysis, Vol. 319 https://doi.org/10.1016/j.jcat.2014.07.025	journal	November 2014
Reactivity and stability investigation of supported molybdenum oxide catalysts for the hydrodeoxygenation (HDO) of m-cresol Shetty, Manish; Murugappan, Karthick; Prasomsri, Teerawit Journal of Catalysis, Vol. 331 https://doi.org/10.1016/j.jcat.2015.07.034	journal	November 2015
Mechanistic analysis of the role of metal oxophilicity in the hydrodeoxygenation of anisole Tan, Qiaohua; Wang, Gonghua; Long, Alex Journal of Catalysis, Vol. 347 https://doi.org/10.1016/j.jcat.2017.01.008	journal	March 2017
Nature of stable single atom Pt catalysts dispersed on anatase TiO2 Thang, Ho Viet; Pacchioni, Gianfranco; DeRita, Leo Journal of Catalysis, Vol. 367 https://doi.org/10.1016/j.jcat.2018.08.025	journal	November 2018
Catalysis by Supported Metals Boudart, M. Advances in Catalysis, Vol. 20, 153-166 https://doi.org/10.1016/s0360-0564(08)60271-0	book	January 1969
Structure sensitivity of supported ruthenium catalysts for ammonia synthesis Jacobsen, Claus J. H.; Dahl, Søren; Hansen, Poul L. Journal of Molecular Catalysis A: Chemical, Vol. 163, Issue 1-2 https://doi.org/10.1016/s1381-1169(00)00396-4	journal	December 2000
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles Liu, Lichen; Corma, Avelino Chemical Reviews, Vol. 118, Issue 10 https://doi.org/10.1021/acs.chemrev.7b00776	journal	April 2018
Energetics of Adsorbed Phenol on Ni(111) and Pt(111) by Calorimetry Carey, Spencer J.; Zhao, Wei; Mao, Zhongtian The Journal of Physical Chemistry C, Vol. 123, Issue 13 https://doi.org/10.1021/acs.jpcc.8b03155	journal	May 2018
Combining In-Situ Transmission Electron Microscopy and Infrared Spectroscopy for Understanding Dynamic and Atomic-Scale Features of Supported Metal Catalysts Resasco, Joaquin; Dai, Sheng; Graham, George The Journal of Physical Chemistry C, Vol. 122, Issue 44 https://doi.org/10.1021/acs.jpcc.8b03959	journal	June 2018
Homogeneity of Surface Sites in Supported Single-Site Metal Catalysts: Assessment with Band Widths of Metal Carbonyl Infrared Spectra Hoffman, Adam S.; Fang, Chia-Yu; Gates, Bruce C. The Journal of Physical Chemistry Letters, Vol. 7, Issue 19 https://doi.org/10.1021/acs.jpclett.6b01825	journal	September 2016
Different Product Distributions and Mechanistic Aspects of the Hydrodeoxygenation of m-Cresol over Platinum and Ruthenium Catalysts Tan, Qiaohua; Wang, Gonghua; Nie, Lei ACS Catalysis, Vol. 5, Issue 11 https://doi.org/10.1021/acscatal.5b00765	journal	September 2015
Experimental and Theoretical Insights into the Hydrogen-Efficient Direct Hydrodeoxygenation Mechanism of Phenol over Ru/TiO ₂ Nelson, Ryan C.; Baek, Byeongjin; Ruiz, Pamela ACS Catalysis, Vol. 5, Issue 11 https://doi.org/10.1021/acscatal.5b01554	journal	October 2015
Bifunctional Catalysts for Upgrading of Biomass-Derived Oxygenates: A Review Robinson, Allison M.; Hensley, Jesse E.; Medlin, J. Will ACS Catalysis, Vol. 6, Issue 8 https://doi.org/10.1021/acscatal.6b00923	journal	July 2016
Hydrodeoxygenation of Phenol over Pd Catalysts. Effect of Support on Reaction Mechanism and Catalyst Deactivation de Souza, Priscilla M.; Rabelo-Neto, Raimundo C.; Borges, Luiz E. P. ACS Catalysis, Vol. 7, Issue 3 https://doi.org/10.1021/acscatal.6b02022	journal	February 2017
Adsorption Energy Correlations at the Metal–Support Boundary Mehta, Prateek; Greeley, Jeffrey; Delgass, W. Nicholas ACS Catalysis, Vol. 7, Issue 7 https://doi.org/10.1021/acscatal.7b00979	journal	June 2017
Chemical Potential of Metal Atoms in Supported Nanoparticles: Dependence upon Particle Size and Support Campbell, Charles T.; Mao, Zhongtian ACS Catalysis, Vol. 7, Issue 12 https://doi.org/10.1021/acscatal.7b03090	journal	November 2017
Beating Heterogeneity of Single-Site Catalysts: MgO-Supported Iridium Complexes Hoffman, Adam S.; Debefve, Louise M.; Zhang, Shengjie ACS Catalysis, Vol. 8, Issue 4 https://doi.org/10.1021/acscatal.8b00143	journal	March 2018
Mechanistic Study of the Direct Hydrodeoxygenation of m -Cresol over WO _x -Decorated Pt/C Catalysts Wang, Cong; Mironenko, Alexander V.; Raizada, Abhishek ACS Catalysis, Vol. 8, Issue 9 https://doi.org/10.1021/acscatal.8b01746	journal	July 2018
Understanding Heterolytic H ₂ Cleavage and Water-Assisted Hydrogen Spillover on Fe ₃ O ₄ (001)-Supported Single Palladium Atoms Doudin, Nassar; Yuk, Simuck F.; Marcinkowski, Matthew D. ACS Catalysis, Vol. 9, Issue 9 https://doi.org/10.1021/acscatal.9b01425	journal	July 2019
Structure Sensitivity of Acetylene Semi-Hydrogenation on Pt Single Atoms and Subnanometer Clusters Kuo, Chun-Te; Lu, Yubing; Kovarik, Libor ACS Catalysis, Vol. 9, Issue 12 https://doi.org/10.1021/acscatal.9b02840	journal	October 2019
Determination of the Evolution of Heterogeneous Single Metal Atoms and Nanoclusters under Reaction Conditions: Which Are the Working Catalytic Sites? Liu, Lichen; Meira, Debora M.; Arenal, Raul ACS Catalysis, Vol. 9, Issue 12 https://doi.org/10.1021/acscatal.9b04214	journal	October 2019
Trends in Adhesion Energies of Metal Nanoparticles on Oxide Surfaces: Understanding Support Effects in Catalysis and Nanotechnology Hemmingson, Stephanie L.; Campbell, Charles T. ACS Nano, Vol. 11, Issue 2 https://doi.org/10.1021/acsnano.6b07502	journal	January 2017
The Energetics of Supported Metal Nanoparticles: Relationships to Sintering Rates and Catalytic Activity Campbell, Charles T. Accounts of Chemical Research, Vol. 46, Issue 8 https://doi.org/10.1021/ar3003514	journal	April 2013
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
Brønsted–Evans–Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules Wang, Shengguang; Vorotnikov, Vassili; Sutton, Jonathan E. ACS Catalysis, Vol. 4, Issue 2 https://doi.org/10.1021/cs400942u	journal	December 2013
Role of Keto Intermediates in the Hydrodeoxygenation of Phenol over Pd on Oxophilic Supports de Souza, Priscilla M.; Rabelo-Neto, Raimundo C.; Borges, Luiz E. P. ACS Catalysis, Vol. 5, Issue 2 https://doi.org/10.1021/cs501853t	journal	January 2015
Experimental criterion for the absence of artifacts in the measurement of rates of heterogeneous catalytic reactions Madon, Rostam J.; Boudart, Michel Industrial & Engineering Chemistry Fundamentals, Vol. 21, Issue 4, p. 438-447 https://doi.org/10.1021/i100008a022	journal	November 1982
Isolated Metal Active Site Concentration and Stability Control Catalytic CO ₂ Reduction Selectivity Matsubu, John C.; Yang, Vanessa N.; Christopher, Phillip Journal of the American Chemical Society, Vol. 137, Issue 8 https://doi.org/10.1021/ja5128133	journal	February 2015
Catalyst Architecture for Stable Single Atom Dispersion Enables Site-Specific Spectroscopic and Reactivity Measurements of CO Adsorbed to Pt Atoms, Oxidized Pt Clusters, and Metallic Pt Clusters on TiO ₂ DeRita, Leo; Dai, Sheng; Lopez-Zepeda, Kimberly Journal of the American Chemical Society, Vol. 139, Issue 40 https://doi.org/10.1021/jacs.7b07093	journal	September 2017
Uniformity Is Key in Defining Structure–Function Relationships for Atomically Dispersed Metal Catalysts: The Case of Pt/CeO ₂ Resasco, Joaquin; DeRita, Leo; Dai, Sheng Journal of the American Chemical Society, Vol. 142, Issue 1 https://doi.org/10.1021/jacs.9b09156	journal	December 2019
High-Surface-Area Catalyst Design: Synthesis, Characterization, and Reaction Studies of Platinum Nanoparticles in Mesoporous SBA-15 Silica ^† Rioux, R. M.; Song, H.; Hoefelmeyer, J. D. The Journal of Physical Chemistry B, Vol. 109, Issue 6 https://doi.org/10.1021/jp048867x	journal	February 2005
Adsorption of Ruthenium Atoms and Clusters on Anatase TiO ₂ and Tetragonal ZrO ₂ (101) Surfaces: A Comparative DFT Study Chen, Hsin-Yi Tiffany; Tosoni, Sergio; Pacchioni, Gianfranco The Journal of Physical Chemistry C, Vol. 119, Issue 20 https://doi.org/10.1021/jp510468f	journal	December 2014
Selective hydrogenation of 1,3-butadiene on platinum–copper alloys at the single-atom limit Lucci, Felicia R.; Liu, Jilei; Marcinkowski, Matthew D. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms9550	journal	October 2015
Structural evolution of atomically dispersed Pt catalysts dictates reactivity DeRita, Leo; Resasco, Joaquin; Dai, Sheng Nature Materials, Vol. 18, Issue 7 https://doi.org/10.1038/s41563-019-0349-9	journal	April 2019
Heterogeneous single-atom catalysis Wang, Aiqin; Li, Jun; Zhang, Tao Nature Reviews Chemistry, Vol. 2, Issue 6 https://doi.org/10.1038/s41570-018-0010-1	journal	May 2018
Magnetite-supported palladium single-atoms do not catalyse the hydrogenation of alkenes but small clusters do Rossell, Marta D.; Caparrós, Francisco J.; Angurell, Inmaculada Catalysis Science & Technology, Vol. 6, Issue 12 https://doi.org/10.1039/c6cy00596a	journal	January 2016
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
A Theory of the Catalytic Surface Taylor, H. S. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 108, Issue 745 https://doi.org/10.1098/rspa.1925.0061	journal	May 1925
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/physrevb.50.17953	journal	December 1994
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/physrevlett.77.3865	journal	October 1996
The Effect of Size-Dependent Nanoparticle Energetics on Catalyst Sintering Campbell, C. T. Science, Vol. 298, Issue 5594 https://doi.org/10.1126/science.1075094	journal	October 2002
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
Atomically Dispersed Supported Metal Catalysts Flytzani-Stephanopoulos, Maria; Gates, Bruce C. Annual Review of Chemical and Biomolecular Engineering, Vol. 3, Issue 1 https://doi.org/10.1146/annurev-chembioeng-062011-080939	journal	July 2012
Preparation of catalysts by metallic complex adsorption on mineral oxides Brunelle, J. P. Pure and Applied Chemistry, Vol. 50, Issue 9-10 https://doi.org/10.1351/pac197850091211	journal	January 1978

Similar Records

Enhanced Hydrodeoxygenation of m -Cresol over Bimetallic Pt–Mo Catalysts through an Oxophilic Metal-Induced Tautomerization Pathway

Journal Article · Wed May 25 20:00:00 EDT 2016 · ACS Catalysis · OSTI ID:1271939

Hydrodeoxygenation of m -Cresol over WO _x -Pt/SBA-15 Using Alkanes as Hydrogen Carriers

Journal Article · Thu Aug 03 00:00:00 EDT 2023 · ACS Catalysis · OSTI ID:2419572

Related Subjects

Chemistry

Relationship between Atomic Scale Structure and Reactivity of Pt Catalysts: Hydrodeoxygenation of m -Cresol over Isolated Pt Cations and Clusters

Citation Formats

References (56)

Similar Records

Related Subjects