Comparative study of the kinetics of methane steam reforming on supported Ni and Sn/Ni alloy catalysts: The impact of the formation of Ni alloy on chemistry

Ni-Based Catalysts for Low Temperature Methane Steam Reforming: Recent Results on Ni-Au and Comparison with Other Bi-Metallic Systems

“…Linic and co-workers have extensively investigated Ni and Sn-Ni alloy catalysts for hydrocarbons (methane, propane and isooctane) steam reforming [38][39][40][41]. By employing the Density Functional Theory (DFT), calculations on Ni and Sn/Ni catalysts supported over 8 mol% yttria-stabilized zirconia (YSZ) showed they identified Sn-Ni alloy as a potential carbon-tolerant reforming catalyst.…”

Ni/CeO2–Al2O3 catalysts for the dry reforming of methane: The effect of CeAlO3 content and nickel crystallite size on catalytic activity and coke resistance

“…The addition of a second metal, such as Co, Cu and Sn, results in the formation of less C-sensitive alloys [15][16][17]. The Ni particle size has a strong effect on the carbon tolerance of the catalyst, and generally, particles smaller than 5 nm have low catalytic activity towards the C H cracking [11,18,19].…”

Computational Investigation of the Thermochemistry and Kinetics of Steam Methane Reforming Over a Multi-Faceted Nickel Catalyst

“…Chen et al have recently employed the activation exponential potential (UBI-QEP) approach and transition state theory to the microkinetic modeling of SMR [17]. Furthermore, density functional theory (DFT) has become a popular computational tool for describing heterogeneous catalysis, including many recent applications to methane reforming [18][19][20][21][22]. Previously, we applied DFT to develop a detailed microkinetic model to describe SMR over Ni(111) at industrially-relevant conditions [23].…”