Atomically dispersed Ni on CeO2 promote efficient catalytic dry reforming of methane: DFT calculation combined with microkinetic modeling

Key Points

• Improved catalytic activity for dry reforming of methane is achieved with atomically dispersed nickel on cerium oxide.
• The density functional theory shows energy barriers are lowered during the reaction process, enhancing efficiency.
• Microkinetic modeling provides a detailed description of the reaction pathways involved in the catalysis.
• This research highlights the benefits of atomically dispersed catalysts, which may enable more effective energy conversion methods.