Adsorption of carbon on Pd clusters of nanometer size: A first-principles theoretical study

Keyphrases

• First-principles 100%
• Adsorption 100%
• Surface Sites 100%
• Cluster Model 100%
• Adsorption Energy 100%
• Pd Clusters 100%
• Nanometer Size 100%
• Three-dimensional (3D) 50%
• Point Group 50%
• Negative Charge 50%
• Scalar 50%
• Metal Particles 50%
• Surface Reaction 50%
• Crystallites 50%
• Nanoclusters 50%
• Hollow 50%
• Metal Catalyst 50%
• (100) Facets 50%
• Adsorbate-adsorbate Interactions 50%
• Global Symmetries 50%
• Carbon Species 50%
• Density Functional Method 50%
• Edge Sites 50%
• Carbides 50%
• Local Symmetry 50%
• Pd Nanoclusters 50%
• All-electron 50%
• Relativistic Density Functional 50%
• Cuboctahedral 50%
• Cluster Edge 50%
• Nanocluster Model 50%
• (111) Facet 50%
• Adsorption Complex 50%

Chemistry

• First Principle 100%
• Cluster Model 100%
• Adsorption Energy 100%
• Crystallite 50%
• Metal Catalyst 50%
• Point Group D4h 50%
• Surface Reaction 50%
• Density Functional Theory 50%

Material Science

• Nanoclusters 100%
• Density 33%
• Adsorbate 33%
• Surface Reaction 33%
• Carbide 33%
• Surface (Surface Science) 33%
• Crystallite 33%
• Point Group 33%