Band gap modification in doped MXene: Sc₂CF₂

Keyphrases

• SiGe 100%
• MXene-based Composites 100%
• MXene Monolayers 100%
• Bandgap Modification 100%
• Band Gap Value 66%
• Total Energy 66%
• N-doping 66%
• Band Gap 33%
• Electronic Properties 33%
• Density Functional Theory 33%
• Geometry Optimization 33%
• Spin Polarization 33%
• B-doped 33%
• S-doping 33%
• Electronic Structure Calculations 33%
• Energy Structure 33%
• Energy Penalty 33%
• MAX Phase 33%
• Monovacancy 33%
• Doped System 33%
• C Substitution 33%
• Atom Substitution 33%
• Defect Band 33%
• Semiconductor-metal Transition 33%
• F-doped 33%
• Half-filling 33%
• Substitutional Doping 33%

Material Science

• Monolayers 100%
• MXene 100%
• Density 16%
• Electronic Property 16%
• Spin Polarization 16%
• Transition Metal 16%
• Electronic Structure Calculation 16%
• MAX Phases 16%

Chemistry

• Band Gap 100%
• Monolayers 100%
• Electronic Property 16%
• Electronic State 16%
• Spin Polarization 16%
• Transition Metal 16%
• Doping 16%