Add to ORKGTheoretical methods (generalized valence‐bond calculations) were used to examine the bond energies and geometries of numerous species chemisorbed onto Ni clusters representing Ni surface. These results were used to obtain thermochemical information and to examine various mechanisms for the methanation of CO over Ni: CO+3H^(→)_(2(Ni)) CH_4+H_2O. It is found that chemisorbed formyl radicals (Ni–CHO) lead to a favorably appearing chain reaction that is consistent with current experimental results. In addition, we find a chemisorbed C_2 species that may be the catalytically active C_(ad) formed from dissociation of CO
CO2 methanation and dry reforming of methane (DRM) are promising routes for CO2 utilization. Ni-base...
Among the catalytic reactions of CO2, the Sabatier reaction, or CO2 methanation reaction, is a suita...
Typical Fischer-Tropsch catalysts display different selectivity and activity in catalyzing CO hydrog...
Methanation of both CO and CO2 with electrolysis-sourced hydrogen is a key step in power-to-gas tech...
Carbon monoxide (CO) methanation has been studied through periodic density functional theory calcula...
Extended HUckel Molecular Orbital (EHMO) calculations have been performed on 5-atom nickel cluster, ...
The catalytic CO methanation reaction on Ni/CeO2(111) systems is known to depend on Ni coverage: at ...
The methanation of CO was investigated in a gradientless, spinning-basket reactor at temperatures 4...
Based on the data of the thermoprogrammed desorption and using mass-spectroscopic analysis of desorb...
The carbon–carbon coupling of C (carbide) and CH (methylidyne), C and CH2 (methylene), and C and CH3...
The dissociative chemisorption of CH4 on nickel and cobalt has been studied using different cluster ...
The effect of the composition of silica supported Ni-Cu alloy catalysts on the process of coking an...
In order to investigate the nature of Ni supported on α-Al2O3 and its modification with Sn in methan...
The methanation of CO₂ within the power-to-gas concept was investigated under fluctuating reaction c...
Methylene (CH<sub>2</sub>) is thought to play a significant role as a reaction intermediate in the c...
CO2 methanation and dry reforming of methane (DRM) are promising routes for CO2 utilization. Ni-base...
Among the catalytic reactions of CO2, the Sabatier reaction, or CO2 methanation reaction, is a suita...
Typical Fischer-Tropsch catalysts display different selectivity and activity in catalyzing CO hydrog...
Methanation of both CO and CO2 with electrolysis-sourced hydrogen is a key step in power-to-gas tech...
Carbon monoxide (CO) methanation has been studied through periodic density functional theory calcula...
Extended HUckel Molecular Orbital (EHMO) calculations have been performed on 5-atom nickel cluster, ...
The catalytic CO methanation reaction on Ni/CeO2(111) systems is known to depend on Ni coverage: at ...
The methanation of CO was investigated in a gradientless, spinning-basket reactor at temperatures 4...
Based on the data of the thermoprogrammed desorption and using mass-spectroscopic analysis of desorb...
The carbon–carbon coupling of C (carbide) and CH (methylidyne), C and CH2 (methylene), and C and CH3...
The dissociative chemisorption of CH4 on nickel and cobalt has been studied using different cluster ...
The effect of the composition of silica supported Ni-Cu alloy catalysts on the process of coking an...
In order to investigate the nature of Ni supported on α-Al2O3 and its modification with Sn in methan...
The methanation of CO₂ within the power-to-gas concept was investigated under fluctuating reaction c...
Methylene (CH<sub>2</sub>) is thought to play a significant role as a reaction intermediate in the c...
CO2 methanation and dry reforming of methane (DRM) are promising routes for CO2 utilization. Ni-base...
Among the catalytic reactions of CO2, the Sabatier reaction, or CO2 methanation reaction, is a suita...
Typical Fischer-Tropsch catalysts display different selectivity and activity in catalyzing CO hydrog...