Gasoline automobile catalysis and its historical journey to cleaner air
|
journal
|
July 2019 |
Opportunities and challenges in the development of advanced materials for emission control catalysts
|
journal
|
October 2020 |
Measurement of Emissions from Air Pollution Sources. 5. C 1 −C 32 Organic Compounds from Gasoline-Powered Motor Vehicles
|
journal
|
March 2002 |
Effects of super-light-duty gasoline and LPG-fueled cars on 16 ambient hydrocarbons at roadsides in Japan
|
journal
|
April 2001 |
Methane oxidation over Pd and Pt studied by DFT and kinetic modeling
|
journal
|
October 2013 |
Microkinetic Modeling of Ethane Total Oxidation on Pt
|
journal
|
June 2014 |
Kinetic mechanism of effects of hydrogen addition on methane catalytic combustion over Pt(1 1 1) surface: A DFT study with cluster modeling
|
journal
|
January 2016 |
Density Functional Theory Study of Methane Oxidation and Reforming on Pt(111) and Pt(211)
|
journal
|
September 2012 |
Correlation between catalytic activity and catalytic surface area of a Pt/Al2O3 DOC: An experimental and microkinetic modeling study
|
journal
|
September 2014 |
Detailed surface reaction mechanism for Pt-catalyzed abatement of automotive exhaust gases
|
journal
|
September 2009 |
Loading and Aging Effects in Exhaust Gas After-Treatment Catalysts with Pt As Active Component
|
journal
|
June 2010 |
A Catalytic Reaction Mechanism for Methane Partial Oxidation at Short Contact Times, Reforming, and Combustion, and for Oxygenate Decomposition and Oxidation on Platinum
|
journal
|
August 2007 |
Microkinetic Mechanisms for Partial Oxidation of Methane over Platinum and Rhodium
|
journal
|
April 2017 |
A C1 mechanism for methane oxidation on platinum
|
journal
|
January 2003 |
Analysis of light-off during oxidation of reactant mixtures on Pt/Al2O3 using micro-kinetic models
|
journal
|
July 2017 |
Methane Oxidation Mechanism on Pt(111): A Cluster Model DFT Study
|
journal
|
November 2006 |
Mechanism of the catalytic oxidation of methane on Pt(1 1 1) surfaces in moist environment: A density functional theory study
|
journal
|
March 2019 |
Theoretical Investigation of Methane Oxidation on Pd(111) and Other Metallic Surfaces
|
journal
|
June 2018 |
Reactivity of Chemisorbed Oxygen Atoms and Their Catalytic Consequences during CH 4 –O 2 Catalysis on Supported Pt Clusters
|
journal
|
October 2011 |
Systematic Enumeration of Elementary Reaction Steps in Surface Catalysis
|
journal
|
February 2019 |
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms
|
journal
|
June 2016 |
Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation
|
journal
|
May 2021 |
Detailed Kinetic Modeling for the Pyrolysis of a Jet A Surrogate
|
journal
|
January 2022 |
Kinetic Modeling of Jet Propellant-10 Pyrolysis
|
journal
|
December 2014 |
Comprehensive reaction mechanism for n-butanol pyrolysis and combustion
|
journal
|
January 2011 |
Automatically generated model for light alkene combustion
|
journal
|
July 2022 |
Detailed Reaction Mechanism for 350–400 °C Pyrolysis of an Alkane, Aromatic, and Long-Chain Alkylaromatic Mixture
|
journal
|
January 2022 |
Automatic Generation of Microkinetic Mechanisms for Heterogeneous Catalysis
|
journal
|
May 2017 |
Computer-Generated Kinetics for Coupled Heterogeneous/Homogeneous Systems: A Case Study in Catalytic Combustion of Methane on Platinum
|
journal
|
August 2019 |
Automated Mechanism Generation Using Linear Scaling Relationships and Sensitivity Analyses Applied to Catalytic Partial Oxidation of Methane
|
journal
|
June 2021 |
Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO 2 Hydrogenation on Ni(111)
|
journal
|
August 2021 |
Microkinetic Modeling of the Transient CO 2 Methanation with DFT‐Based Uncertainties in a Berty Reactor
|
journal
|
August 2022 |
Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces
|
journal
|
July 2007 |
Development of a Microkinetic Model for the CO2 Methanation with an Automated Reaction Mechanism Generator
|
book
|
October 2020 |
Spray-Dried Ni Catalysts with Tailored Properties for CO2 Methanation
|
journal
|
December 2020 |
Open Catalyst 2020 (OC20) Dataset and Community Challenges
|
journal
|
May 2021 |
In situ Activation of Bimetallic Pd−Pt Methane Oxidation Catalysts
|
journal
|
June 2020 |
A simple method for CO chemisorption studies under continuous flow: Adsorption and desorption behavior of Pt/Al2O3 catalysts
|
journal
|
November 2012 |
Effects of Hydrothermal Aging on CO and NO Oxidation Activity over Monometallic and Bimetallic Pt-Pd Catalysts
|
journal
|
February 2021 |
Aftertreatment Protocols for Catalyst Characterization and Performance Evaluation: Low-Temperature Oxidation, Storage, Three-Way, and NH3-SCR Catalyst Test Protocols
|
journal
|
April 2019 |
Vehicle application of model-based catalyst control
|
journal
|
March 2006 |
Oxygen storage dominated three-way catalyst modeling for fresh catalysts
|
journal
|
March 2017 |
PGM based catalysts for exhaust-gas after-treatment under typical diesel, gasoline and gas engine conditions with focus on methane and formaldehyde oxidation
|
journal
|
May 2020 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
|
journal
|
September 2009 |
Advanced capabilities for materials modelling with Quantum ESPRESSO
|
journal
|
October 2017 |
Pseudopotentials periodic table: From H to Pu
|
journal
|
December 2014 |
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
|
journal
|
June 2012 |
Microkinetic Modeling of Propene Combustion on a Stepped, Metallic Palladium Surface and the Importance of Oxygen Coverage
|
journal
|
January 2022 |
Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited †
|
journal
|
November 2004 |
Rate-Based Construction of Kinetic Models for Complex Systems
|
journal
|
May 1997 |
Estimating the Thermochemistry of Adsorbates Based Upon Gas-Phase Properties
|
journal
|
April 2012 |
Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis
|
journal
|
December 2009 |
Building large microkinetic models with first-principles׳ accuracy at reduced computational cost
|
journal
|
January 2015 |
Effect of errors in linear scaling relations and Brønsted–Evans–Polanyi relations on activity and selectivity maps
|
journal
|
June 2016 |
First principles calculations and experimental insight into methane steam reforming over transition metal catalysts
|
journal
|
October 2008 |
A Theoretical and Computational Analysis of Linear Free Energy Relations for the Estimation of Activation Energies
|
journal
|
July 2012 |
Ethanol Activation on Closed-Packed Surfaces
|
journal
|
December 2014 |
Combined DFT, Microkinetic, and Experimental Study of Ethanol Steam Reforming on Pt
|
journal
|
February 2013 |
C−H Bond Activation of Light Alkanes on Pt(111): Dissociative Sticking Coefficients, Evans−Polanyi Relation, and Gas−Surface Energy Transfer
|
journal
|
July 2010 |
Femtomole Adsorption Calorimetry on Single-Crystal Surfaces
|
journal
|
April 1998 |
Universal transition state scaling relations for (de)hydrogenation over transition metals
|
journal
|
January 2011 |
Finding the Rate-Determining Step in a Mechanism
|
journal
|
December 2001 |
Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates
|
journal
|
June 2009 |
The Degree of Rate Control: A Powerful Tool for Catalysis Research
|
journal
|
March 2017 |
Microkinetic Modeling of the Oxidation of Methane Over PdO Catalysts—Towards a Better Understanding of the Water Inhibition Effect
|
journal
|
August 2020 |
The Effect of Prereduction on the Performance of Pd/Al 2 O 3 and Pd/CeO 2 Catalysts during Methane Oxidation
|
journal
|
June 2019 |
Tuning the Structure of Platinum Particles on Ceria In Situ for Enhancing the Catalytic Performance of Exhaust Gas Catalysts
|
journal
|
September 2017 |
Spatiotemporal Investigation of the Temperature and Structure of a Pt/CeO2 Oxidation Catalyst for CO and Hydrocarbon Oxidation during Pulse Activation
|
journal
|
March 2021 |
Unravelling the Different Reaction Pathways for Low Temperature CO Oxidation on Pt/CeO 2 and Pt/Al 2 O 3 by Spatially Resolved Structure–Activity Correlations
|
journal
|
November 2019 |
Understanding Trends in Catalytic Activity: The Effect of Adsorbate–Adsorbate Interactions for CO Oxidation Over Transition Metals
|
journal
|
February 2010 |
Microkinetic Modeling and Reduced Rate Expressions of Ethylene Hydrogenation and Ethane Hydrogenolysis on Platinum
|
journal
|
January 2011 |
Microkinetic Modeling of the CO 2 Desorption from Supported Multifaceted Ni Catalysts
|
journal
|
February 2021 |
Assessing the reliability of calculated catalytic ammonia synthesis rates
|
journal
|
July 2014 |
SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces
|
journal
|
September 2017 |
Ab Initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species
|
journal
|
August 2017 |
The Vital Role of Step-Edge Sites for Both CO Activation and Chain Growth on Cobalt Fischer–Tropsch Catalysts Revealed through First-Principles-Based Microkinetic Modeling Including Lateral Interactions
|
journal
|
July 2020 |
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
|
journal
|
January 2010 |
CO and CO2 Hydrogenation to Methanol Calculated Using the BEEF-vdW Functional
|
journal
|
December 2012 |
Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling
|
journal
|
February 2016 |
Extracting Knowledge from Data through Catalysis Informatics
|
journal
|
June 2018 |
Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the In Situ Nature of the Active Site in Catalysis
|
journal
|
September 2020 |
Understanding Homogeneous and Heterogeneous Contributions to the Platinum-Catalyzed Partial Oxidation of Ethane in a Short-Contact-Time Reactor
|
journal
|
November 2000 |
Catalytic reactions of dioxygen with ethane and methane on platinum clusters: Mechanistic connections, site requirements, and consequences of chemisorbed oxygen
|
journal
|
January 2012 |
Catalytic partial oxidation of methane on platinum investigated by spatial reactor profiles, spatially resolved spectroscopy, and microkinetic modeling
|
journal
|
January 2013 |
Quo vadis multiscale modeling in reaction engineering? – A perspective
|
journal
|
August 2022 |
Tracking the formation, fate and consequence for catalytic activity of Pt single sites on CeO2
|
journal
|
September 2020 |
Surface Noble Metal Concentration on Ceria as a Key Descriptor for Efficient Catalytic CO Oxidation
|
journal
|
February 2022 |
Quantitative and Atomic-Scale View of CO-Induced Pt Nanoparticle Surface Reconstruction at Saturation Coverage via DFT Calculations Coupled with in Situ TEM and IR
|
journal
|
March 2017 |
Methane oxidation over Pt/Al2O3 and Pd/Al2O3 catalysts under transient conditions
|
journal
|
April 2007 |
On the role of the surface oxygen species during A–H (A = C, N, O) bond activation: a density functional theory study
|
journal
|
January 2015 |