Cooperative roles of water and metal-support interfaces in the selective hydrogenation of cinnamaldehyde over cobalt boride catalysts

Li, Gengnan; Komarneni, Mallikharjuna Rao; Wang, Bin; Marinkovic, Nebojsa; Resasco, Daniel E.

doi:10.1016/j.xcrp.2023.101367

Cooperative roles of water and metal-support interfaces in the selective hydrogenation of cinnamaldehyde over cobalt boride catalysts

Journal Article · Mon Apr 10 00:00:00 EDT 2023 · Cell Reports Physical Science

DOI:https://doi.org/10.1016/j.xcrp.2023.101367· OSTI ID:2007443

Li, Gengnan ^[1]; Komarneni, Mallikharjuna Rao ^[2]; Wang, Bin ^[2]; Marinkovic, Nebojsa ^[3]; ^[2]

University of Oklahoma, Norman, OK (United States); University of Oklahoma
University of Oklahoma, Norman, OK (United States)
Columbia University, New York, NY (United States)

Chemoselectivity in the hydrogenation of carbonyl over alkene bonds is valuable for producing industrial chemicals. In this study, we investigate the role of water in the selective hydrogenation of cinnamaldehyde on cobalt and cobalt boride catalysts by combining rate measurements, in situ characterization, and computational calculations. Ex situ and in situ spectroscopic analyses indicate that the boron species do not significantly modify the intrinsic electronic properties of cobalt. However, during thermal treatments, they exsolve from the bulk phase and become enriched on the surface, forming acidic species that enhance the activity and selectivity of carbonyl bond hydrogenation by three and two times, respectively. A small amount of water is able to promote hydrogenation. When titania, ceria, and zirconia are used as supports, metal-support interactions result in smaller particles that show a drop in selectivity toward the desirable unsaturated alcohol. Overall, the combination of the presence of boron species and strong metal-support interactions protects the catalysts from water attack, resulting in enhanced stability.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE Office of Science (SC), Engineering & Technology; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: SC0018284; SC0012704

OSTI ID:: 2007443

Journal Information:: Cell Reports Physical Science, Journal Name: Cell Reports Physical Science Journal Issue: 4 Vol. 4; ISSN 2666-3864

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (45)

Structure Sensitivity of the Hydrogenation of Crotonaldehyde over Pt/SiO2and Pt/TiO2 Englisch, Martin; Jentys, Andreas; Lercher, Johannes A. Journal of Catalysis, Vol. 166, Issue 1 https://doi.org/10.1006/jcat.1997.1494	journal	February 1997
Strong metal-support interactions: Occurrence among the binary oxides of groups IIA?VB Tauster, S. Journal of Catalysis, Vol. 55, Issue 1 https://doi.org/10.1016/0021-9517(78)90182-3	journal	October 1978
X-ray photoelectron spectroscopic (xps) surface characterization of cobalt on the surface of kaolinite Dillard, John G.; Koppelman, Mitchell H. Journal of Colloid and Interface Science, Vol. 87, Issue 1 https://doi.org/10.1016/0021-9797(82)90370-8	journal	May 1982
Design, synthesis, and use of cobalt-based Fischer-Tropsch synthesis catalysts Iglesia, Enrique Applied Catalysis A: General, Vol. 161, Issue 1-2 https://doi.org/10.1016/S0926-860X(97)00186-5	journal	November 1997
Selective hydrogenation of cinnamaldehyde in supercritical CO2 over Me–CeO2 (Me = Cu, Pt, Au): Insight of the role of Me–Ce interaction Piqueras, C. M.; Puccia, V.; Vega, D. A. Applied Catalysis B: Environmental, Vol. 185 https://doi.org/10.1016/j.apcatb.2015.12.031	journal	May 2016
Co–Ni–B nanocatalyst for efficient hydrogen evolution reaction in wide pH range Gupta, S.; Patel, N.; Fernandes, R. Applied Catalysis B: Environmental, Vol. 192 https://doi.org/10.1016/j.apcatb.2016.03.032	journal	September 2016
The precise decoration of Pt nanoparticles with Fe oxide by atomic layer deposition for the selective hydrogenation of cinnamaldehyde Hu, Qingmin; Wang, Sen; Gao, Zhe Applied Catalysis B: Environmental, Vol. 218 https://doi.org/10.1016/j.apcatb.2017.06.087	journal	December 2017
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes Yu, Jun; Yang, Yusen; Chen, Lifang Applied Catalysis B: Environmental, Vol. 277 https://doi.org/10.1016/j.apcatb.2020.119273	journal	November 2020
Magnetically induced synthesis of mesoporous amorphous CoB nanochains for efficient selective hydrogenation of cinnamaldehyde to cinnamyl alcohol Zhao, Jingjing; Malgras, Victor; Na, Jongbeom Chemical Engineering Journal, Vol. 398 https://doi.org/10.1016/j.cej.2020.125564	journal	October 2020
Optimizing the surface distribution of acid sites for cooperative catalysis in condensation reactions promoted by water Li, Gengnan; Wang, Bin; Kobayashi, Takeshi Chem Catalysis, Vol. 1, Issue 5 https://doi.org/10.1016/j.checat.2021.08.005	journal	October 2021
Role of water in cyclopentanone self-condensation reaction catalyzed by MCM-41 functionalized with sulfonic acid groups Li, Gengnan; Wang, Bin; Chen, Banghao Journal of Catalysis, Vol. 377 https://doi.org/10.1016/j.jcat.2019.07.032	journal	September 2019
Oxide-catalyzed self- and cross-condensation of cycloketones. Kinetically relevant steps that determine product distribution Li, Gengnan; Wang, Bin; Resasco, Daniel E. Journal of Catalysis, Vol. 391 https://doi.org/10.1016/j.jcat.2020.07.019	journal	November 2020
Experimental and computational kinetics study of the liquid-phase hydrogenation of C C and C O bonds Li, Gengnan; Zhao, Zheng; Mou, Tong Journal of Catalysis, Vol. 404 https://doi.org/10.1016/j.jcat.2021.09.002	journal	December 2021
Rate enhancement of phenol hydrogenation on Pt by hydronium ions in the aqueous phase Yang, Guoju; Maliekkal, Vineet; Chen, Xi Journal of Catalysis, Vol. 404 https://doi.org/10.1016/j.jcat.2021.11.003	journal	December 2021
One-pot pyrolytic synthesis of mesoporous MCo2O4(4.5) (M=Mn, Ni, Fe, Cu) spinels and its high efficient catalytic properties for CO oxidation at low temperature Li, Gengnan; Li, Liang; Shi, Jingjing Journal of Molecular Catalysis A: Chemical, Vol. 390 https://doi.org/10.1016/j.molcata.2014.03.012	journal	August 2014
Solvent effects on catalytic reactions and related phenomena at liquid-solid interfaces Li, Gengnan; Wang, Bin; Resasco, Daniel E. Surface Science Reports, Vol. 76, Issue 4 https://doi.org/10.1016/j.surfrep.2021.100541	journal	November 2021
In Situ Solid–Gas Reactivity of Nanoscaled Metal Borides from Molten Salt Synthesis Gouget, Guillaume; Debecker, Damien P.; Kim, Ara Inorganic Chemistry, Vol. 56, Issue 15 https://doi.org/10.1021/acs.inorgchem.7b01279	journal	July 2017
Benchmarking the Fundamental Electronic Properties of small TiO ₂ Nanoclusters by GW and Coupled Cluster Theory Calculations Berardo, Enrico; Kaplan, Ferdinand; Bhaskaran-Nair, Kiran Journal of Chemical Theory and Computation, Vol. 13, Issue 8 https://doi.org/10.1021/acs.jctc.7b00538	journal	July 2017
Inherent Size Effects on XANES of Nanometer Metal Clusters: Size-Selected Platinum Clusters on Silica Dai, Yang; Gorey, Timothy J.; Anderson, Scott L. The Journal of Physical Chemistry C, Vol. 121, Issue 1 https://doi.org/10.1021/acs.jpcc.6b10167	journal	December 2016
Manipulating the Microenvironment of Surfactant-Encapsulated Pt Nanoparticles to Promote Activity and Selectivity Li, Gengnan; Marinkovic, Nebojsa; Wang, Bin ACS Catalysis, Vol. 12, Issue 22 https://doi.org/10.1021/acscatal.2c03780	journal	October 2022
Kinetic Significance of Proton–Electron Transfer during Condensed Phase Reduction of Carbonyls on Transition Metal Clusters Shangguan, Junnan; Chin, Ya-Huei Cathy ACS Catalysis, Vol. 9, Issue 3 https://doi.org/10.1021/acscatal.8b03470	journal	January 2019
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 ACS Catalysis, Vol. 10, Issue 1 https://doi.org/10.1021/acscatal.9b04330	journal	November 2019
Enhanced Fischer–Tropsch Synthesis Rates by the Combined Presence of Aqueous and Organic Media in Biphasic Systems Anaya, Felipe; Resasco, Daniel E. ACS Catalysis, Vol. 10, Issue 7 https://doi.org/10.1021/acscatal.9b04369	journal	March 2020
Water-Mediated Heterogeneously Catalyzed Reactions Li, Gengnan; Wang, Bin; Resasco, Daniel E. ACS Catalysis, Vol. 10, Issue 2 https://doi.org/10.1021/acscatal.9b04637	journal	December 2019
Strong metal-support interactions Tauster, S. J. Accounts of Chemical Research, Vol. 20, Issue 11 https://doi.org/10.1021/ar00143a001	journal	November 1987
Mechanistic Insights on the Hydrogenation of α,β-Unsaturated Ketones and Aldehydes to Unsaturated Alcohols over Metal Catalysts Ide, Matthew S.; Hao, Bing; Neurock, Matthew ACS Catalysis, Vol. 2, Issue 4 https://doi.org/10.1021/cs200567z	journal	March 2012
Structure and catalytic activity of alumina supported platinum-cobalt bimetallic catalysts. 3. Effect of treatment on the interface layer Zsoldos, Zoltan; Guczi, Laszlo The Journal of Physical Chemistry, Vol. 96, Issue 23 https://doi.org/10.1021/j100202a061	journal	November 1992
X-ray absorption spectroscopy, x-ray photoelectron spectroscopy, and analytical electron microscopy studies of cobalt catalysts. 1. Characterization of calcined catalysts Castner, David G.; Watson, Philip R.; Chan, Ignatius Y. The Journal of Physical Chemistry, Vol. 93, Issue 8 https://doi.org/10.1021/j100345a061	journal	April 1989
Strong metal-support interactions. Group 8 noble metals supported on titanium dioxide Tauster, S. J.; Fung, S. C.; Garten, R. L. Journal of the American Chemical Society, Vol. 100, Issue 1 https://doi.org/10.1021/ja00469a029	journal	January 1978
Effect of Pd Coordination and Isolation on the Catalytic Reduction of O ₂ to H ₂ O ₂ over PdAu Bimetallic Nanoparticles Ricciardulli, Tomas; Gorthy, Sahithi; Adams, Jason S. Journal of the American Chemical Society, Vol. 143, Issue 14 https://doi.org/10.1021/jacs.1c00539	journal	April 2021
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
Ion Exchange of NH₄−Ferrierite with Co²⁺: ESCA Study Jirka, Ivan The Journal of Physical Chemistry B, Vol. 105, Issue 6 https://doi.org/10.1021/jp002719z	journal	January 2001
Accelerating water dissociation kinetics by isolating cobalt atoms into ruthenium lattice Mao, Junjie; He, Chun-Ting; Pei, Jiajing Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-07288-6	journal	November 2018
Solvent-mediated charge separation drives alternative hydrogenation path of furanics in liquid water Zhao, Zheng; Bababrik, Reda; Xue, Wenhua Nature Catalysis, Vol. 2, Issue 5 https://doi.org/10.1038/s41929-019-0257-z	journal	April 2019
The interactions between TiO₂ and graphene with surface inhomogeneity determined using density functional theory Bukowski, Brandon; Deskins, N. Aaron Physical Chemistry Chemical Physics, Vol. 17, Issue 44 https://doi.org/10.1039/C5CP04073F	journal	January 2015
A mesoporous non-precious metal boride system: synthesis of mesoporous cobalt boride by strictly controlled chemical reduction Jiang, Bo; Song, Hui; Kang, Yunqing Chemical Science, Vol. 11, Issue 3 https://doi.org/10.1039/C9SC04498A	journal	January 2020
Substoichiometric ultrathin zirconia films cause strong metal–support interaction Lackner, Peter; Choi, Joong Il Jake; Diebold, Ulrike Journal of Materials Chemistry A, Vol. 7, Issue 43 https://doi.org/10.1039/C9TA08438J	journal	January 2019
Direct evidence of the SMSI decoration effect: the case of Co/TiO2 catalyst de la Peña O’Shea, Víctor A.; Consuelo Álvarez Galván, M.; Platero Prats, Ana E. Chemical Communications, Vol. 47, Issue 25 https://doi.org/10.1039/c1cc10318k	journal	January 2011
Active sites and reaction mechanisms for deuteration of acrolein on TiO2-, Y2O3-, ZrO2-, CeO2 and Na/SiO2- supported platinum catalysts Yoshitake, Hideaki; Iwasawa, Yasuhiro Journal of the Chemical Society, Faraday Transactions, Vol. 88, Issue 3 https://doi.org/10.1039/ft9928800503	journal	January 1992
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
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
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
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
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Momma, Koichi; Izumi, Fujio Journal of Applied Crystallography, Vol. 44, Issue 6 https://doi.org/10.1107/S0021889811038970	journal	October 2011
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

Similar Records

Metal boride catalysts for indirect liquefaction. Quarterly technical progress report, March 1, 1984-May 31, 1984

Technical Report · Wed Jul 25 00:00:00 EDT 1984 · OSTI ID:6656010

Boride surface treatments

Journal Article · Fri Mar 31 23:00:00 EST 2000 · Advanced Materials and Processes · OSTI ID:20023249

Investigation of sulfur-tolerant catalysts for selective synthesis of hydrocarbon liquids from coal-derived gases. Annual technical progress report, September 19, 1981-September 18, 1982

Technical Report · Wed Oct 06 00:00:00 EDT 1982 · OSTI ID:6593847

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
DFT calculations
in situ spectroscopy
promotion by water
proton-electron transfer
selective C=O hydrogenation
strong metal-support interactions

Cooperative roles of water and metal-support interfaces in the selective hydrogenation of cinnamaldehyde over cobalt boride catalysts

Citation Formats

References (45)

Similar Records

Related Subjects