Stability, Energetic, and Reactivity Properties of NiPd Alloy Clusters Deposited on Graphene with Defects: A Density Functional Theory Study

Ingeniería y ciencia de los materiales

• Density functional theory 100%
• Graphene 78%
• Defects 45%
• Electron affinity 11%
• Ionization potential 10%
• Binding energy 9%
• Catalyst supports 8%
• Catalyst activity 7%
• Atoms 6%
• Nanoparticles 6%
• Hardness 4%

Física y astronomía

• reactivity 66%
• graphene 54%
• density functional theory 51%
• defects 37%
• catalytic activity 7%
• electron affinity 6%
• ionization potentials 6%
• binding energy 5%
• hardness 4%
• nanoparticles 4%
• atoms 3%
• interactions 2%
• energy 1%

Química

• Graphene 47%
• Alloy 46%
• Molecular Cluster 43%
• Ionization Potential 6%
• Binding Energy 5%
• Nanoparticle 3%
• Energy 2%