DFT studies of low concentration substitutional doping of transition-metals on single-walled carbon nanotube surface

Keyphrases

• Armchair 33%
• Banded Structure 66%
• Density of States 66%
• DFT Study 100%
• Doped SWCNT 33%
• Electronic Properties 33%
• Exchange-correlation Functionals 33%
• FeCo 33%
• FeNi 33%
• First-principles Density Functional Theory 33%
• Generalized Gradient Approximation 33%
• Metal Fe 33%
• Nanotube Surface 100%
• Ni Metal 33%
• Partial Density of States 33%
• Single-walled Carbon Nanotubes (SWCNTs) 100%
• State Curves 33%
• State Structure 33%
• Substitutional Doping 100%
• Systematic Comparison 33%
• Total Density of States 33%

Chemistry

• Catalyst 25%
• Density Functional Theory 100%
• Density of State 75%
• Electronic Band Structure 50%
• Electronic Property 25%
• Exchange-Correlation Potential 25%
• First Principle 25%
• Generalized Gradient Approximation 25%
• Single Walled Nanotube 100%
• Transition Metal 100%

Material Science

• Carbon Nanotube 100%
• Catalyst 25%
• Density 100%
• Electronic Band Structure 25%
• Electronic Property 25%
• Transition Metal 100%