TDDFT Study of the Optical Spectra of Free and Supported Binary Coinage Metal Hexamers: Effect of Doping and Support

Keyphrases

• DFT Study 100%
• Doping Effect 100%
• Hexamer 100%
• Support Effect 100%
• Optical Spectra 100%
• Coinage Metals 100%
• Electric Field (E-field) 50%
• Density Functional Theory 50%
• Optical Absorption 50%
• Wave Function 50%
• Oscillator Strength 50%
• Low Energy 50%
• CuAu 50%
• Cu-Ag 50%
• (100) Surfaces 50%
• Absorption Peak 50%
• Excited States 50%
• Experimental Information 50%
• First-principles 50%
• Gas Phase 50%
• UV-Vis Spectra 50%
• Magnesium Oxide 50%
• Oxide Substrates 50%
• Time-dependent Density Functional Theory 50%
• Charge-separated 50%
• Transition Dipole Moment 50%
• Optical Response 50%
• Simple Oxides 50%
• Unary 50%
• Kohn-Sham Orbitals 50%
• Interaction with Substrate 50%
• Atom Cluster 50%
• Group IB Metals 50%

Chemistry

• Ground State 100%
• Wave Function 100%
• Dipole Moment 100%
• Oscillator Strength 100%
• Excited State 100%
• Absorptivity 100%
• First Principle 100%
• UV/VIS Spectroscopy 100%
• Molecular Cluster 100%
• Time-Dependent Density Functional Theory 100%
• Density Functional Theory Study 100%
• Electric Field 100%
• Oxide 100%
• Magnesium Oxide 100%