First principles studies of extrinsic and intrinsic defects in boron nitride nanotubes

Chemistry

• Nanotube 100%
• First Principle 100%
• Boron Nitride Nanotube 100%
• Electronic Property 66%
• Enthalpy of Formation 66%
• Density Functional Theory 33%
• Carbon Atom 33%
• Band Gap 33%
• stability 33%

Keyphrases

• Substitutional Carbon 50%
• Substitutional Defects 50%
• Boron-rich 50%
• Zigzag Geometry 50%
• Zigzag Nanotube 50%
• Spin-polarized Density Functional Theory 50%
• Armchair Nanotube 50%

Material Science

• Nanotube 100%
• Boron Nitride 100%
• Electronic Property 40%
• Boron 40%
• Density 20%