Methane dry (CO2) reforming to syngas (H2/CO) in catalytic process: From experimental study and DFT calculations

Dry reforming of methane (DRM) is a promising reaction, it could convert two greenhouse gases CO2 and CH4 into syngas (CO and H-2) which could provide a mixed fuel for daily life or chemical feedstock for industrial application. Transition metals were widely applied in this process, however, single component of transition metal catalysts could not meet the stability, selectivity and activity demands simultaneously. And the coke formation on the catalysts is the major barrier to the commercialization of DRM. This review presents a systematic discussion and analysis of methane dry reforming to syngas in the catalytic process from both experimental study and density functional theory (DFT) calculation based on recent research. It includes catalytic performance test of activity, selectivity and stability in DRM on monometallic and bimetallic systems, and also gives the discussion of carbon formation in the former parts. The later parts focus on CH4 and CO2 activation over monometal and bimetal surface using DFT simulation. The rate determining step and reaction mechanisms involved in DRM are obtained based on thermodynamic analysis and microkinetic model. In the end, we give our outlook to the design and preparation of good performance catalysts as well as further theoretical simulation and analysis in DRM. This review could provide some useful information for going into methane dry reforming from both experimental application and atomic scale. (C) 2020 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.