Importance of ligand effect in selective hydrogen formation via formic acid decomposition on the bimetallic Pd/Ag catalyst from first-principles

Engineering & Materials Science

• Catalysts 56%
• Decomposition 48%
• Dehydration 20%
• Dehydrogenation 23%
• Density functional theory 25%
• Fermi level 28%
• Formic acid 100%
• Hydrogen 53%
• Hydrogen production 18%
• Ligands 89%
• Monolayers 21%
• Substrates 11%
• Tensile strain 20%

Physics & Astronomy

• catalysts 62%
• decomposition 50%
• dehydration 20%
• dehydrogenation 21%
• density functional theory 12%
• engineering 12%
• formic acid 95%
• hydrogen 41%
• hydrogen production 21%
• ligands 67%
• orbitals 11%
• selectivity 31%

Chemical Compounds

• Catalyst 27%
• Decomposition 43%
• Dehydration 18%
• Dehydrogenation 20%
• Density Functional Theory 13%
• Density of State 24%
• Fermi Level 25%
• Formic Acid 59%
• Hydrogen 33%
• Ligand 29%
• Monolayer 16%
• Orbital 18%
• Strain 31%
• Strength 14%
• Surface 21%
• Surface Activity 24%