First-principles calculation of volatile organic compound adsorption on carbon nanotubes: Furan as case of study

Ingeniería y ciencia de los materiales

• Volatile organic compounds 100%
• Carbon nanotubes 87%
• Vacancies 83%
• Adsorption 80%
• Binding energy 65%
• Nanotubes 52%
• Molecules 40%
• Magnetic moments 32%
• Electronic properties 31%
• Density functional theory 30%
• Electronic structure 30%
• Health 30%
• Food processing 28%
• Biomarkers 25%
• Energy gap 23%
• Hazards 18%
• Systems analysis 15%
• Defects 14%
• Geometry 12%

Compuestos químicos

• Volatile Organic Compound 85%
• Furan 80%
• Carbon Nanotube 60%
• Adsorption 40%
• Binding Energy 24%
• Nanotube 22%
• Magnetic Moment 14%
• Van Der Waals Force 13%
• Single Walled Nanotube 12%
• Biological Marker 12%
• Electronic Property 11%
• Band Gap 10%
• Electronic State 10%
• Food 9%
• Molecule 9%
• Density Functional Theory 8%
• Environment 7%
• Surface 4%