Mechanism study on CO2 reforming of methane over platinum cluster doped graphene: A DFT calculation
Abstract
null null Dry (CO2) reforming of methane is an important reaction in environmental catalysis, which can both reduce the greenhouse gas content and utilize syngas production. Density functional theory (DFT) calculations were carried out to investigate the reaction mechanism of CO2 and CH4 on Pt4 cluster doped single-vacancy graphene (Pt4/SV) catalyst. The adsorption configurations are optimized in advance to determine the initial states and final...
Paper Details
Title
Mechanism study on CO2 reforming of methane over platinum cluster doped graphene: A DFT calculation
Published Date
Dec 1, 2020
Journal
Volume
497
Pages
111205
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