Mechanism of the catalytic oxidation of methane on Pt(1 1 1) surfaces in moist environment: A density functional theory study

•The primary reaction pathways involved in the oxidation process were identified.•The mechanism of the oxidation reaction in moist environment was clarified.•The energetics of the pathways for methane oxidation were elucidated.•The role of the OH* species in the oxidation process was highlighted.•The dissociative chemisorption of methane is crucial to the oxidation reaction.