Ab Initio Surface Phase Diagrams for Coadsorption of Aromatics and Hydrogen on the Pt(111) Surface

Engineering & Materials Science

• Phase diagrams 100%
• Hydrogen 61%
• Density functional theory 38%
• Hydrogenation 32%
• Aromatic compounds 26%
• Adsorbates 26%
• Pyrolysis 24%
• Thermodynamics 14%
• Phase boundaries 11%
• Monolayers 11%
• Phenols 10%
• Interfacial energy 10%
• Surface structure 10%
• Temperature 10%
• Crystalline materials 9%
• Adsorption 8%
• Biomass 7%
• Catalysts 7%
• Substrates 6%
• Oils 5%
• Metals 5%

Physics & Astronomy

• phase diagrams 60%
• hydrogen 47%
• deoxygenation 37%
• hydrogenation 25%
• pyrolysis 23%
• aromatic compounds 23%
• density functional theory 17%
• hydrogen compounds 12%
• upgrading 10%
• biomass 10%
• phenols 9%
• thermodynamic equilibrium 8%
• surface energy 7%
• selectivity 7%
• catalysts 7%
• oils 7%
• temperature 6%
• adsorption 5%
• saturation 5%
• rings 5%
• thermodynamics 5%
• kinetics 4%
• output 4%
• metals 3%
• interactions 3%
• energy 2%

Chemical Compounds

• Phase Diagrams 70%
• Guaiacol 44%
• Hydrogen 39%
• Deoxygenation 30%
• Surface 24%
• Aromatic Compound 16%
• Density Functional Theory 16%
• Pressure 15%
• Hydrogenation Kinetics 13%
• Hydrogenation 12%
• Vibrational Energy 10%
• Thermodynamics 10%
• Phase Interface 9%
• Surface Composition 9%
• Interfacial Energy 8%
• Phenol 6%
• Adsorption 4%