Microstructure and catalytic properties of Fe3O4/BN, Fe3O4(Pt)/BN, and FePt/BN heterogeneous nanomaterials in CO2 hydrogenation reaction: Experimental and theoretical insights
Jan 1, 2021·,,,,,,,,,,,,,·
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A.S. Konopatsky
K.L. Firestein
N.D. Evdokimenko
A.L. Kustov
V.S. Baidyshev
I.V. Chepkasov
Z.I. Popov
A.T. Matveev
I.V. Shetinin
D.V. Leybo
I.N. Volkov
A.M. Kovalskii
D. Golberg
D.V. Shtansky
Abstract
Hexagonal boron nitride (h-BN) nanosheets are a promising material for various applications including catalysis. Herein, h-BN-supported Fe-based catalysts are characterised with respect to CO2 hydrogenation reaction. Heterogeneous Fe3O4/BN, Fe3O4(Pt)/BN, and FePt/BN nanostructures are obtained via polyol synthesis in ethylene glycol. The sizes of Fe3O4 nanoparticles and their distributions over h-BN surfaces depend on the amount of H2PtCl6 added to the synthesis media. Bimetallic FePt nanoparticles are formed when Pt content is high enough. In situ TEM analysis shows the formation of core–shell h-BN@FePt nanoparticles during heating that prevents FePt NPs from further sintering during the catalytic process. The mechanism of Fe and Pt interaction is elucidated based on the molecular dynamic simulations. The FePt/BN nanomaterials show significantly higher CO2 conversion rate compared to the Fe3O4/BN and Fe3O4(Pt)/BN heterogeneous nanomaterials and exhibit almost 100% selectivity to carbon monoxide. The Fe3O4/BN and Fe3O4(Pt)/BN nanomaterials show better selectivity to hydrocarbons. The possible reaction pathways are discussed based on the calculated sorption energies of all reactants, intermediate compounds, and reaction products. The study highlights pronounced catalytic properties of the developed system and reveals a unique interaction mechanism between its components increasing their stability. © 2021 Elsevier Inc.
Type
Publication
Journal of Catalysis
Boron Nitride
Nanoparticles
CO2 Hydrogenation
Carbon Dioxide Hydrogenation
Hydrogenation
Sintering
Platinum
Carbon Monoxide
Carbon Dioxide
Nanostructured Materials
Binary Alloys
Catalytic Properties
Chlorine Compounds
Ethylene
Ethylene Glycol
Fe-Based Catalysts
Fe-Pt Nanoparticle
Fe3O4
Fe3O4 Nanoparticles
FePt Nanoparticles
Heterogeneous Catalysts
Hexagonal BN Support
Hexagonal Boron Nitride (H-BN)
III-v Semiconductors
Interaction Mechanisms
Intermediate Compound
Iron Oxides
Magnetite
Molecular Dynamic Simulations
Molecular Dynamics
Reaction Intermediates
Synthesis (Chemical)
FeO