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A Dft-Based Mechanistic Analysis for the M1 Surface of the Movnbteo Catalyst During the Production of Ethylene and Water Via the Selective Oxidation of Ethane

https://doi.org/10.2139/ssrn.4673737
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Ethylene production via Oxidative Dehydrogenation of Ethane using M1 catalyst
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A simple approach to describe hydrodynamics and its effect on heat and mass transport in an industrial wall-cooled fixed bed catalytic reactor: ODH of ethane on a MoVNbTeO formulation
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A pseudo-local heat transfer approach in a low tube to particle diameter ratio packed bed catalytic reactor: Oxidative dehydrogenation of ethane as a case study
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Elucidating Selective and Total Oxidation Elementary Reactions over a Ni-Based Catalyst for Sustainable Ethylene Production via Oxidative Dehydrogenation of Ethane: Microkinetic Analysis
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On ethane ODH mechanism and nature of active sites over NiO-based catalysts via isotopic labeling and methanol sorption studies
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A self-redox pure-phase M1 MoVNbTeO /CeO2 nanocomposite as a highly active catalyst for oxidative dehydrogenation of ethane
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Determination of Highly Active and Selective Surface for the Oxidative Dehydrogenation of Ethane Over Phase-Pure M1 Movnbteox Catalyst
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Effects of Lattice O Atom Coordination and Pore Confinement on Selectivity Limitations for Ethane Oxidative Dehydrogenation Catalyzed by Vanadium-Oxo Species
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The Impact of the Bulk Structure on Surface Dynamics of Complex Mo–V-based Oxide Catalysts
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Influence of Tight Confinement on Selective Oxidative Dehydrogenation of Ethane on MoVTeNb Mixed Oxides
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Chemical, Structural, and Morphological Changes of a MoVTeNb Catalyst during Oxidative Dehydrogenation of Ethane
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Kinetic Study of Oxidative Dehydrogenation of Ethane over MoVTeNb Mixed-Oxide Catalyst
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The Role of Surface Basal Planes of Layered Mixed Metal Oxides in Selective Transformation of Lower Alkanes: Propane Ammoxidation over Surface ab Planes of Mo−V−Te−Nb−O M1 Phase
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In Silico Design of Highly Selective Mo-V-Te-Nb-O Mixed Metal Oxide Catalysts for Ammoxidation and Oxidative Dehydrogenation of Propane and Ethane
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Formation of Oxygen Radical Sites on MoVNbTeOx by Cooperative Electron Redistribution
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Adsorption of Propane, Isopropyl, and Hydrogen on Cluster Models of the M1 Phase of Mo−V−Te−Nb−O Mixed Metal Oxide Catalyst
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Structural Characterization of the Orthorhombic Phase M1 in MoVNbTeO Propane Ammoxidation Catalyst
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DASPK: A new high order and adaptive time-integration technique with applications to mantle convection with strongly temperature-and pressure-dependent rheology
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Ab initio molecular dynamics for liquid metals
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Projector augmented-wave method
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Periodic boundary conditions in ab initio calculations
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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State-of-the-Art Review of Oxidative Dehydrogenation of Ethane to Ethylene over MoVNbTeOx Catalysts
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Olefins from Biomass Intermediates: A Review
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