Hydrogen donation of bio-acids over transition metal facets: A Density Functional Theory study

Keyphrases

• Density Functional Theory 100%
• H2 Gas 100%
• Hydrogen Donation 100%
• Mo(110) 100%
• Formic Acid 66%
• AcOH 66%
• H Atoms 66%
• Acetic Acid 33%
• Hydrogen Donor 33%
• Enthalpy Change 33%
• Biomass Fast Pyrolysis 33%
• Density Functional Calculations 33%
• Stronger Binding 33%
• Bio-oil Upgrading 33%
• Transport Fuel 33%
• Dissociative Adsorption 33%
• Energy Barrier 33%
• Electron Migration 33%
• Acid Decomposition 33%
• Low Energy Barrier 33%
• Hydrogen Source 33%
• Exothermic Decomposition 33%

Chemical Engineering

• Transition Metal 100%
• Formic Acid 66%
• Adsorption 33%
• Acetic Acid 33%
• Fast Pyrolysis 33%
• Enthalpy 33%