The plasmonic properties of tetrahedral aluminum nanoparticles have been investigated using time‐dependent functional theory (TDDFT) calculations. The excitation energies are calculated for tetrahedral aluminum nanoparticles (Aln, n = 10–120) with different… Click to show full abstract
The plasmonic properties of tetrahedral aluminum nanoparticles have been investigated using time‐dependent functional theory (TDDFT) calculations. The excitation energies are calculated for tetrahedral aluminum nanoparticles (Aln, n = 10–120) with different charge states. The BP86/DZ model is used to perform geometric optimization calculations for these clusters. The SAOP/DZ and LB94/DZ levels of theory have been used for the excitation energy calculations of these tetrahedral aluminum clusters. The absorption peaks are red‐shifted upon increasing the size of the aluminum nanoparticles.
               
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