Single- and double-wall carbon nanotubes fully covered with tetraphenylporphyrins: Stability and optoelectronic properties from ab initio calculations

Chemical Compounds

• Double Walled Nanotube 100%
• Tetraphenylporphyrin 89%
• Single Walled Nanotube 67%
• Ab Initio Calculation 62%
• Carbon Nanotube 21%
• Chirality 13%
• Binding Energy 12%
• Molecular Dynamics 10%
• Simulation 9%
• Carbon Atom 6%

Physics & Astronomy

• carbon nanotubes 62%
• chirality 19%
• binding energy 15%
• molecular dynamics 13%
• configurations 9%
• simulation 6%
• temperature 5%