Atom Vacancies on a Carbon Nanotube: To What Extent Can We Simulate their Effects?

Keyphrases

• Carbon Nanotubes 100%
• Atom Vacancies 100%
• Structural Change 50%
• Density Functional Theory 50%
• Energy Barrier 50%
• Carbon Nanostructures 50%
• Single Vacancy 50%
• Formation Energy 50%
• Intrinsic Defects 50%
• Carbon System 50%
• Classical Force Field 50%
• Zigzag Nanotube 50%

Chemical Engineering

• Carbon Nanotube 100%
• Carbon Nanostructure 50%
• Nanotube 50%