Controlling the electronic properties of nanodiamonds via surface chemical functionalization: A DFT study

Engineering & Materials Science

• Nanodiamonds 100%
• Electronic properties 90%
• Discrete Fourier transforms 64%
• Density functional theory 43%
• Nanocrystals 43%
• Diamonds 29%

Chemistry

• Nanodiamond 73%
• HOMO/LUMO Gap 72%
• Electronic Property 48%
• Density Functional Theory 36%
• Decoration 32%
• Diamond 27%
• Nanocrystal 24%
• Surface 18%

Physics & Astronomy

• electronics 30%
• nanocrystals 26%
• routes 24%
• diamonds 23%
• density functional theory 22%