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Elucidating Cooperative Active Sites and Methane Combustion Pathways on Dynamic Pdox Surfaces

https://doi.org/10.2139/ssrn.5202740

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High‐Throughput Screening of Dual‐Atom Catalysts for Methane Combustion: A Combined Density Functional Theory and Machine‐Learning Study

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The Metal–Support Interaction Concerning the Particle Size Effect of Pd/Al 2 O 3 on Methane Combustion

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Pentacoordinated Al3+‐Stabilized Active Pd Structures on Al2O3‐Coated Palladium Catalysts for Methane Combustion

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Time Resolved in situ DXAFS Revealing Highly Active Species of PdO Nanoparticle Catalyst for CH4 Oxidation

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A Study of the Dynamics of Pd Oxidation and PdO Reduction by H2and CH4

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Factors Affecting the Catalytic Activity of Pd/ZrO2for the Combustion of Methane

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Structure and Reactivity of PdOx/ZrO2Catalysts for Methane Oxidation at Low Temperatures

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Isotopic Studies of Methane Oxidation Pathways on PdO Catalysts

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Contributions of Lattice Oxygen in Methane Combustion over PdO-Based Catalysts

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Characterization and Activity of Supported Palladium Combustion Catalysts

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Metastable Pd ↔ PdO Structures During High Temperature Methane Oxidation

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Oxidation of methane over supported precious metal catalysts

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Investigation of the active state of supported palladium catalysts in the combustion of methane

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Procedure to tailor activity of methane combustion catalyst: Relation between Pd/PdO active sites and methane oxidation activity

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Silica-encapsulated palladium clusters for methane combustion catalysis

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DFT study of reaction processes of methane combustion on PdO(100)

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Surface reaction kinetics of methane oxidation over PdO

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Reaction mechanism insights into CH4 catalytic oxidation on Pt13 cluster: A DFT study

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The combustion mitigation of methane as a non-CO 2 greenhouse gas

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A review on catalytic methane combustion at low temperatures: Catalysts, mechanisms, reaction conditions and reactor designs

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Interaction of O2 with Pd single crystals in the range 1–150Torr: Oxygen dissolution and reaction

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Quantitative surface structure determination using in situ high-energy SXRD: Surface oxide formation on Pd(100) during catalytic CO oxidation

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Study of PdO/Pd transformation over alumina supported catalysts for natural gas combustion

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Contributions of lattice oxygen to the overall oxygen balance during methane combustion over PdO-based catalysts

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Creating Atomically Iridium-Doped PdO x Nanoparticles for Efficient and Durable Methane Abatement

inferredcites →https://doi.org/10.1021/acs.jpcc.2c04841openalex-snapshot

Dynamic Evolution of Methane Oxidation on Pd-Based Catalysts: A Reactive Force Field Molecular Dynamics Study

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Dynamics and Thermodynamics of Pd–PdO Phase Transitions: Effects of Pd Cluster Size and Kinetic Implications for Catalytic Methane Combustion

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Formation of Epitaxial PdO(100) During the Oxidation of Pd(100)

inferredcites →https://doi.org/10.1021/acscatal.0c01069openalex-snapshot

Role of Water on the Structure of Palladium for Complete Oxidation of Methane

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Low-Temperature Methane Oxidation for Efficient Emission Control in Natural Gas Vehicles: Pd and Beyond

inferredcites →https://doi.org/10.1021/acscatal.0c04868openalex-snapshot

Stable Palladium Oxide Clusters Encapsulated in Silicalite-1 for Complete Methane Oxidation

inferredcites →https://doi.org/10.1021/acscatal.1c00156openalex-snapshot

CH 4 Oxidation Activity in Pd and Pt–Pd Bimetallic Catalysts: Correlation with Surface PdO x Quantified from the DRIFTS Study

inferredcites →https://doi.org/10.1021/acscatal.1c00839openalex-snapshot

Elucidation of Active Sites for CH 4 Catalytic Oxidation over Pd/CeO 2 Via Tailoring Metal–Support Interactions

inferredcites →https://doi.org/10.1021/acscatal.3c02167openalex-snapshot

Enhancing Methane Combustion Activity by Modulating the Local Environment of Pd Single Atoms in Pd1/CeO2 Catalysts

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Systematic Structure–Property Relationship Studies in Palladium-Catalyzed Methane Complete Combustion

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The Role of Oxides in Catalytic CO Oxidation over Rhodium and Palladium

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Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100)

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Amorphous Surface PdOX and Its Activity toward Methane Combustion

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Operando and Kinetic Study of Low-Temperature, Lean-Burn Methane Combustion over a Pd/γ-Al2O3 Catalyst

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Intrinsic Ligand Effect Governing the Catalytic Activity of Pd Oxide Thin Films

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Chemistry of Supported Palladium Nanoparticles during Methane Oxidation

inferredcites →https://doi.org/10.1021/ja405004mopenalex-snapshot

Consequences of Metal–Oxide Interconversion for C–H Bond Activation during CH4Reactions on Pd Catalysts

inferredcites →https://doi.org/10.1021/jacs.5b06069openalex-snapshot

Methane Oxidation over PdO(101) Revealed by First-Principles Kinetic Modeling

inferredcites →https://doi.org/10.1021/jp2119668openalex-snapshot

Combustion of Methane over Palladium-Based Catalysts: Support Interactions

inferredcites →https://doi.org/10.1021/jp961903aopenalex-snapshot

Role of Lattice Oxygen in the Combustion of Methane over PdO/ZrO 2 : Combined Pulse TG/DTA and MS Study with 18 O-Labeled Catalyst

inferredcites →https://doi.org/10.1021/jz300069sopenalex-snapshot

The Active Phase of Palladium during Methane Oxidation

inferredcites →https://doi.org/10.1038/47450openalex-snapshot

Reverse microemulsion synthesis of nanostructured complex oxides for catalytic combustion

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Investigation of the evolution of Pd-Pt supported on ceria for dry and wet methane oxidation

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Global environmental implications of atmospheric methane removal through chlorine-mediated chemistry-climate interactions

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Redox dynamics and surface structures of an active palladium catalyst during methane oxidation

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Engineering catalyst supports to stabilize PdOx two-dimensional rafts for water-tolerant methane oxidation

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Dynamic and reversible transformations of subnanometre-sized palladium on ceria for efficient methane removal

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Structure of palladium nanoparticles under oxidative conditions

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Modelling complete methane oxidation over palladium oxide in a porous catalyst using first-principles surface kinetics

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p-State of surface oxygen for mediating the s-band center of a single-atomic Ag catalyst for enhanced catalytic property for the oxygen reduction reaction

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A climbing image nudged elastic band method for finding saddle points and minimum energy paths

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Growth and decomposition of aligned and ordered PdO nanoparticles

inferredcites →https://doi.org/10.1063/1.3187935openalex-snapshot

A first-principles study of bulk oxide formation on Pd(100)

inferredcites →https://doi.org/10.1063/1.5126219openalex-snapshot

Palladium oxidation leads to methane combustion activity: Effects of particle size and alloying with platinum

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Surface optical reflectance combined with x-ray techniques during gas-surface interactions

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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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Ab initio molecular dynamics for liquid metals

inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

inferredcites →https://doi.org/10.1103/physrevb.69.075421openalex-snapshot

Thermodynamic stability of PdO surfaces

inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot

Generalized Gradient Approximation Made Simple

inferredcites →https://doi.org/10.1126/science.1222887openalex-snapshot

Exceptional Activity for Methane Combustion over Modular Pd@CeO 2 Subunits on Functionalized Al 2 O 3

inferredcites →https://doi.org/10.1126/science.abj5291openalex-snapshot

Steam-created grain boundaries for methane C–H activation in palladium catalysts

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Preparation of Pd/SiO2 Catalysts by a Simple Dry Ball-Milling Method for Lean Methane Oxidation and Probe of the State of Active Pd Species

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