O 2 -Assisted Methane Oxidation on Single-Atom Pd@SSZ-13: A Combined First-Principles and Microkinetic Study

Anuroopa Behatha; Shalini Tomar; Hojin Jeong; Joon-Hwan Choi; Seung Cheol Lee; Seung‐Cheol Lee

doi:10.1039/d5cp03940a

January 1, 2026Physical Chemistry Chemical Physics

O 2 -Assisted Methane Oxidation on Single-Atom Pd@SSZ-13: A Combined First-Principles and Microkinetic Study

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Key Points

The study aims to explore the efficiency and durability of palladium-based catalysts for methane oxidation.
Utilized first-principles calculations to model catalyst behavior.
Conducted microkinetic analysis to assess reaction mechanisms.
Evaluated different conditions for methane oxidation.
Identified optimal conditions for enhanced catalytic activity.
Demonstrated improved durability of Pd@SSZ-13 in reaction cycles.
Provided insights into the mechanisms underlying oxidation processes.

Implication

Demonstrates O2-assisted methane oxidation using Pd@SSZ-13, implying potential for effective greenhouse-gas mitigation.

Abstract

Complete oxidation of methane is a compelling route for greenhouse-gas mitigation, yet achieving high activity and durability with Pd (palladium)-based catalysts remains nontrivial. In the present work, we employed a...

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Cite This Study

Behatha et al. (2026) studied this question.

synapsesocial.com/papers/698586498f7c464f2300a484 https://doi.org/10.1039/d5cp03940a

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O 2 -Assisted Methane Oxidation on Single-Atom Pd@SSZ-13: A Combined First-Principles and Microkinetic Study

Key Points

Implication

Abstract

Discussion

Cite This Study

O 2 -Assisted Methane Oxidation on Single-Atom Pd@SSZ-13: A Combined First-Principles and Microkinetic Study

Key Points

Implication

Abstract

Discussion

Cite This Study

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