Efficient Modeling of Structural, Electronic, and Optical Properties of Silver and Gold Metal Nanoclusters and Alloys Using Optimized SCC-DFTB Parameters

Keyphrases

• Optical Properties 100%
• Electronic Properties 100%
• Structural Electronics 100%
• Efficient Modeling 100%
• Structural Properties 100%
• Metal Alloys 100%
• Metal Nanoclusters 100%
• Binding Parameters 100%
• Gold Metal 100%
• Silver Metal 100%
• Density Functional Tight Binding 100%
• Absorption Spectra 80%
• Time-dependent Density Functional Theory 40%
• Formation Energy 40%
• Alloy Composition 40%
• Icosahedron 40%
• Octahedron 40%
• Truncated Octahedron 40%
• Nanoparticles 20%
• Plasmon 20%
• Excited States 20%
• Electronic Structure 20%
• First-principles 20%
• Plasmonics 20%
• Plasmonic Properties 20%
• Eigenvalues 20%
• Energy Levels 20%
• Nanoclusters 20%
• In Alloy 20%
• Parametrization 20%
• Plasmon Excitation 20%
• Excited-state Properties 20%
• Bond Length 20%
• Tetrahedron 20%
• Icosahedral 20%
• Projected Density of States 20%
• Closed Shell 20%
• Silver Nanoclusters 20%
• Ground State Properties 20%
• Tight-binding 20%
• Electronic Absorption 20%
• Au-Ag Alloy 20%
• Reference Spectra 20%
• Gold Nanoclusters 20%
• Quantum Plasmonics 20%
• Alloy Nanocluster 20%
• Maximum Deviation 20%
• Tight-binding Framework 20%
• Alloy Clusters 20%
• Nanoalloys 20%
• Bimetallic Alloy 20%

Physics

• Nanoclusters 100%
• Absorption Spectra 100%
• Optical Property 100%
• Stress Corrosion Cracking 100%
• Ground State 75%
• Time-Dependent Density Functional Theory 50%
• Plasmon 50%
• Gold Nanoclusters 25%
• Density of States 25%
• Nanoparticle 25%
• First Principle 25%
• Density Functional Theory 25%

Material Science

• Electronic Property 100%
• Nanoclusters 100%
• Density 100%
• Optical Property 100%
• Absorption Spectra 50%
• Silver 12%
• Nanoparticle 12%