Assessment of Hybrid Density Functionals for the Adsorption of Carbon Monoxide on Platinum Model Clusters

Keyphrases

• Carbon Dioxide 100%
• Adsorption 100%
• Model Cluster 100%
• Co-adsorption 100%
• Hybrid Density Functional 100%
• Hybrid DFT 100%
• Electronic Structure 50%
• Adsorbate 50%
• Semilocal 50%
• CO Molecule 50%
• Pt(111) 50%
• Exchange-correlation Functionals 50%
• Self-interaction 50%
• PBE0 50%
• TPSSh 50%
• M06L 50%
• Kohn-Sham DFT 50%
• DFT Approach 50%
• (111) Facet 50%

Material Science

• Density 100%
• Platinum 100%
• Adsorbate 100%
• Carbon Monoxide 100%
• Energy Levels 100%

Chemistry

• Density Functional Theory 100%
• Cluster Model 100%
• Carbon Monoxide 100%
• Electronic State 33%