First-principles microkinetic modeling of partial methane oxidation over graphene-stabilized single-atom Fe-catalysts

Sungil Hong; Minttu M. Kauppinen; Evan V. Miu; Giannis Mpourmpakis; Henrik Grönbeck

doi:10.1039/d3cy01335a

ScienceGate Book Chapters

JOURNAL ARTICLE

First-principles microkinetic modeling of partial methane oxidation over graphene-stabilized single-atom Fe-catalysts

Sungil Hong Minttu M. Kauppinen Evan V. Miu Giannis Mpourmpakis Henrik Grönbeck

Year: 2023 Journal: Catalysis Science & Technology Vol: 13 (24)Pages: 6999-7010 Publisher: Royal Society of Chemistry

DOI: 10.1039/d3cy01335a

Get Full-Text PDF Get Analytical Report

Abstract

Detailed microkinetic modeling reveals complex mechanisms of room-temperature methanol synthesis from methane on FeN 4 /GN catalyst. Key factors for selectivity control are identified, providing guidelines for the design of catalysts.

Keywords:

Catalysis Methane Partial oxidation Selectivity Methanol Graphene Chemistry Atom (system on chip) Chemical engineering Photochemistry Inorganic chemistry Nanotechnology Materials science Organic chemistry Computer science

Metrics

Cited By

0.27

FWCI (Field Weighted Citation Impact)

Refs

0.43

Citation Normalized Percentile

Is in top 1%

Is in top 10%

Citation History

Topics

Catalytic Processes in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Electrocatalysts for Energy Conversion

Physical Sciences → Energy → Renewable Energy, Sustainability and the Environment

Catalysis and Oxidation Reactions

Physical Sciences → Chemical Engineering → Catalysis

First-principles microkinetic modeling of partial methane oxidation over graphene-stabilized single-atom Fe-catalysts

Abstract

Metrics

Citation History

Topics

Related Documents

First-Principles Microkinetic Modeling of Methane Oxidation over Pd(100) and Pd(111)

Insights into the Oxygen Evolution Reaction on Graphene-Based Single-Atom Catalysts from First-Principles-Informed Microkinetic Modeling

Microkinetic Model Development for Methane Oxidation over Palladium Catalysts

First-Principles Microkinetic Modeling of Methane\nOxidation over Pd(100) and Pd(111)

Partial oxidation of methane over ruthenium catalysts