Density functional theory calculations of the oxidative dehydrogenation of propane on the (010) surface of C₂O₅

Keyphrases

• Density Functional Calculations 100%
• Oxidative Dehydrogenation of Propane 100%
• Dissociative Adsorption 66%
• Activation Barrier 66%
• Propane 66%
• Vanadyl 66%
• Vanadium Pentoxide 33%
• Density Functional Theory 33%
• Methyl Groups 33%
• Alternative Pathway 33%
• Nucleophilicity 33%
• OH Groups 33%
• H Atoms 33%
• Propene 33%
• Hydroxyl Species 33%
• Group Attack 33%

Chemical Engineering

• Dehydrogenation 100%
• Adsorption 66%
• Propylene 33%