Related references
Note: Only part of the references are listed.Detailed Microkinetics for the Oxidation of Exhaust Gas Emissions through Automated Mechanism Generation
Bjarne Kreitz et al.
ACS CATALYSIS (2022)
Computational Methods in Heterogeneous Catalysis
Benjamin W. J. Chen et al.
CHEMICAL REVIEWS (2021)
Optimal Packing of CO at a High Coverage on Pt(100) and Pt(111) Surfaces
Vaidish Sumaria et al.
ACS CATALYSIS (2020)
A Practical Guide to Surface Kinetic Monte Carlo Simulations
Mie Andersen et al.
FRONTIERS IN CHEMISTRY (2019)
Rethinking CO adsorption on transition-metal surfaces: Effect of density-driven self-interaction errors
Abhirup Patra et al.
PHYSICAL REVIEW B (2019)
Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions
Eric C. Dybeck et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Adsorbate Entropies with Complete Potential Energy Sampling in Microkinetic Modeling
Mikkel Jorgensen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Ab Initio Thermodynamics and First-Principles Microkinetics for Surface Catalysis
Karsten Reuter
CATALYSIS LETTERS (2016)
A temperature dependent investigation of the adsorption of CO on Pt(111) using low-temperature single crystal adsorption calorimetry
Peter Hoertz et al.
SURFACE SCIENCE (2015)
A compact low-temperature single crystal adsorption calorimetry setup for measuring coverage dependent heats of adsorption at cryogenic temperatures
Peter Hoertz et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2014)
Simulating Temperature Programmed Desorption of Oxygen on Pt(111) Using DFT Derived Coverage Dependent Desorption Barriers
Spencer D. Miller et al.
TOPICS IN CATALYSIS (2014)
On the effect of coverage-dependent adsorbate-adsorbate interactions for CO methanation on transition metal surfaces
Adam C. Lausche et al.
JOURNAL OF CATALYSIS (2013)
An improved single crystal adsorption calorimeter for determining gas adsorption and reaction energies on complex model catalysts
Jan-Henrik Fischer-Wolfarth et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2011)
Understanding Trends in Catalytic Activity: The Effect of Adsorbate-Adsorbate Interactions for CO Oxidation Over Transition Metals
Lars C. Grabow et al.
TOPICS IN CATALYSIS (2010)
CO adsorption energies on metals with correction for high coordination adsorption sites - A density functional study
F. Abild-Pedersen et al.
SURFACE SCIENCE (2007)
Ammonia synthesis from first-principles calculations
K Honkala et al.
SCIENCE (2005)
First-principles extrapolation method for accurate CO adsorption energies on metal surfaces
SE Mason et al.
PHYSICAL REVIEW B (2004)
The CO/Pt(111) puzzle
PJ Feibelman et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
Share Paper
