Jongyoon Bae
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View article: Influence of coverage dependence on the thermophysical properties of adsorbates and its impact on microkinetic models
Influence of coverage dependence on the thermophysical properties of adsorbates and its impact on microkinetic models Open
This work focuses on the impact of lateral interactions on the thermophysical properties of adsorbates. We present different parameterizations for coverage-dependent enthalpy, entropy, and heat capacity in a mean-field microkinetic model. …
View article: Detailed microkinetics for the oxidation of exhaust gas emissions through automated mechanism generation
Detailed microkinetics for the oxidation of exhaust gas emissions through automated mechanism generation Open
Emissions from vehicles contain a variety of pollutants that must be either oxidized or reduced efficiently in the catalytic converter. Improvements to the catalyst require knowledge of the microkinetics, but the complexity of the exhaust …
View article: Detailed microkinetics for the oxidation of exhaust gas emissions through automated mechanism generation
Detailed microkinetics for the oxidation of exhaust gas emissions through automated mechanism generation Open
Emissions from vehicles contain a variety of pollutants that must be either oxidized or reduced efficiently in the catalytic converter. Improvements to the catalyst require knowledge of the microkinetics, but the complexity of the exhaust …
View article: Data for Detailed microkinetics for the oxidation of exhaust gas emissions through automated mechanism generation
Data for Detailed microkinetics for the oxidation of exhaust gas emissions through automated mechanism generation Open
Data, scripts and generated microkinetic models for the preprint "Detailed microkinetics for the oxidation of exhaust gas emissions through automated mechanism generation"
View article: Investigation of the Hydrophobic Nature of Metal Oxide Surfaces Created by Atomic Layer Deposition
Investigation of the Hydrophobic Nature of Metal Oxide Surfaces Created by Atomic Layer Deposition Open
Surface hydrophobicity can be exploited in the design of catalyst materials to improve their activity and selectivity. One versatile method for modifying the hydrophobicity of the environment surrounding an active site is atomic layer depo…