Geometrical and electronic structures of gold, silver, and gold-silver binary clusters: Origins of ductility of gold and gold-silver alloy formation

Keyphrases

• 3D Structure 25%
• Ab Initio Pseudopotential 25%
• Ag Atom 50%
• Alloy Formation 100%
• Anionic Clusters 25%
• Au Atoms 50%
• Binary Clusters 100%
• Binary System 25%
• Bond Dissociation Energy 25%
• Cluster Structure 25%
• Coordination number 25%
• Coupled Cluster Theory 25%
• Density Functional Theory 25%
• Ductility 100%
• Electron Spin 25%
• Electronic Properties 25%
• Electronic Structure 100%
• Electrostatic Energy 25%
• Energy Gain 25%
• Even number 25%
• Generalized Gradient Approximation 25%
• Geometrical Structure 100%
• Global Minimum 25%
• Gold Clusters 25%
• Gold-silver Alloy 100%
• High-level Ab Initio Calculations 25%
• Inner Part 25%
• Large Nc 25%
• Linear Structure 25%
• Local Minima 25%
• Low Energy 25%
• Negatively Charged 50%
• Odd number 25%
• Orbital Energy 50%
• Partial Charge Transfer 50%
• Planar Configuration 25%
• Planar Structure 25%
• Positively Charged 50%
• Pure Gold 25%
• Pure Silver 25%
• Silver Clusters 25%
• Spin Pairing 25%
• Valence Orbital 25%

Chemistry

• Ab Initio Calculation 20%
• Cluster Structure 20%
• Coordination Number 20%
• Coupled Cluster Theory 20%
• Density Functional Theory 20%
• Dissociation Energy 20%
• Electron Spin 20%
• Electronic Property 20%
• Electronic State 100%
• formation 100%
• Generalized Gradient Approximation 20%
• Pseudopotential 20%
• Purity 100%
• Silver 100%
• Silver Alloy 100%
• stability 20%

Physics

• Silver Alloy 100%