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Theoretical Study on Rh Metal Catalyst In No-Co Reaction: Significant Surface Dependences of Activity and Selectivity

https://doi.org/10.2139/ssrn.5374281
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Economizing on Precious Metals in Three‐Way Catalysts: Thermally Stable and Highly Active Single‐Atom Rhodium on Ceria for NO Abatement under Dry and Industrially Relevant Conditions**
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Oxidation of CO by NO over Rh(111)
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N + N → N2 Reaction Rates on Rh(111)
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Structure Sensitive Selectivity of the NO-CO Reaction over Rh(110) and Rh(111)
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Shape-controlled syntheses of rhodium nanocrystals for the enhancement of their catalytic properties
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Evidence for an oxygen intermediate in the catalytic reduction of NO by CO on rhodium surfaces
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Effects of cerium addition on the CO$z.sbnd;NO reaction kinetics over alumina-supported rhodium catalysts
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Influence of metal particle size and support on the catalytic properties of supported rhodium: CO$z.sbnd;O2 and CO$z.sbnd;NO reactions
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Does chemisorbed carbon monoxide dissociate on rhodium?
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Chemisorption and reactions of nitric oxide on rhodium
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Correlation between the physicochemical properties and catalytic performances of Ce Sn1–O2 mixed oxides for NO reduction by CO
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Vehicle emissions trapping materials: Successes, challenges, and the path forward
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Crystal facet dependence of carbon chain growth mechanism over the Hcp and Fcc Co catalysts in the Fischer-Tropsch synthesis
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Detailed mechanism of the NO + CO reaction on Rh(1 0 0) and Rh(1 1 1): A first-principles study
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Comparative analysis of NOx reduction on Pt, Pd, and Rh catalysts by DFT calculation and microkinetic modeling
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Effect of H2 on deNOx performance of HC-SCR over Ag/Al2O3: Morphological, chemical, and kinetic changes
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Transition metal doping of Pd(1 1 1) for the NO + CO reaction
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Visiting CH4 formation and C1 + C1 couplings to tune CH4 selectivity on Fe surfaces
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Theoretical insight into oxidation catalysis of chromite spinel MCr2O4 (M = Mg, Co, Cu, and Zn): Volcano plot for oxygen-vacancy formation and catalytic activity
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Catalysis of Nickel-Based gold single-atom alloy for NO-CO reaction: Theoretical insight into role of gold atom in enhancing catalytic activity
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Surface modification of Fe5C2 by binding silica-based ligand: A theoretical explanation of enhanced C2 oxygenate selectivity
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Reactions between NO and CO on rhodium (111): an elementary step approach
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Phase-Controlled Deposition of Ru on Pd Nanocrystal Templates: Effects of Particle Shape and Size
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Density Functional Theory Analysis of Elementary Reactions in NOx Reduction on Rh Surfaces and Rh Clusters
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First-Principles Microkinetic Analysis of NO + CO Reactions on Rh(111) Surface toward Understanding NOx Reduction Pathways
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High Turnover Frequency CO–NO Reactions over Rh Overlayer Catalysts: A Comparative Study Using Rh Nanoparticles
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Kinetic Monte Carlo Modeling for the NO–CO Reaction Mechanism on Rh(100) and Rh(111)
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Improved Pd/CeO2 Catalysts for Low-Temperature NO Reduction: Activation of CeO2 Lattice Oxygen by Fe Doping
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Operando NAP-XPS Observation and Kinetics Analysis of NO Reduction over Rh(111) Surface: Characterization of Active Surface and Reactive Species
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Rh and Rh Alloy Nanoparticles as Highly Active H2 Oxidation Catalysts for Alkaline Fuel Cells
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Dynamic Interplay between Diffusion and Reaction: Nitrogen Recombination on Rh{211} in Car Exhaust Catalysis
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Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC
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Activating Pd by Morphology Tailoring for Oxygen Reduction
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A comparison of the NO–CO reaction over Rh(100), Rh(110) and Rh(111)
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Remarkable improvement in low temperature performance of model three-way catalysts through solution atomic layer deposition
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Size dependence of structural parameters in fcc and hcp Ru nanoparticles, revealed by Rietveld refinement analysis of high-energy X-ray diffraction data
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Morphology-dependent nanocatalysis: metal particles
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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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The dissociation kinetics of NO on Rh(111) as studied by temperature programmed static secondary ion mass spectrometry and desorption
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A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
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Why Rhodium in Automotive Three-Way Catalysts?
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High-precision sampling for Brillouin-zone integration in metals
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Projector augmented-wave method
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.59.7413openalex-snapshot
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
inferredcites →https://doi.org/10.1103/physrevb.69.075102openalex-snapshot
Tests of a ladder of density functionals for bulk solids and surfaces
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1126/science.1160845openalex-snapshot
Shape Changes of Supported Rh Nanoparticles During Oxidation and Reduction Cycles
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Temperature dependent morphological evolution of Rh nanopyramids
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The impacts of nanotechnology on catalysis by precious metal nanoparticles
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Effects of Structure and Particle Size of Iron, Cobalt and Ruthenium Catalysts on Fischer–Tropsch Synthesis
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