Computational investigation on the catalytic activity of Rh₆ and Rh₄Ru₂ clusters towards methanol activation

Keyphrases

• Catalytic Activity 100%
• Computational Investigation 100%
• OH Bond 100%
• Methanol Dissociation 100%
• Methanol Activation 100%
• C-H Bond 66%
• Methanol 33%
• Alcohol 33%
• Density Functional Theory 33%
• Chemical Bond 33%
• Energy Barrier 33%
• Metallic Clusters 33%
• Bond Breaking 33%
• Bimetallic 33%
• Scission 33%
• Organic Reactions 33%
• Bond Dissociation 33%
• Competitive Pathway 33%
• Ru(II) Complexes 33%
• Ruthenium Doping 33%
• Small Molecule Activation 33%
• Monometallic 33%
• Cluster Catalyst 33%
• Doped Clusters 33%
• Small Metallic Clusters 33%
• Metal Clusters 33%
• Molecular Activation 33%

Chemistry

• Methanol 100%
• Chemical Bond 20%
• Density Functional Theory 20%
• Ruthenium 20%
• Purity 20%
• Energy Barrier 20%
• Organic Reaction 20%