Theoretical Study of Methane Dissociation on Pt(111) Surface Using Density Functional Theory (DFT) Calculations

In this work, methane (CH4) dissociation on Pt(111) surface dissociation was studied based on density functional theory (DFT) calculations to evaluate the nature of adsorption and to calculate the rate constant. The most stable configurations for H and CH3 were tested on the surface of Pt(111), and...

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Hlavní autoři:	Zahraa Al-Auda, Keith L. Hohn
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Masyarakat Katalis Indonesia - Indonesian Catalyst Society (MKICS) 2023-10-01
Edice:	Bulletin of Chemical Reaction Engineering & Catalysis
Témata:	methane dissociation pt(111) surface dft density functional theory reforming
On-line přístup:	https://journal.bcrec.id/index.php/bcrec/article/view/19788
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