Figures index

From

Interaction of Au and Boron Nitride Nanotube: A DFT Study

Ahad Khan Pyawarai

International Journal of Physics. 2020, 8(2), 42-47 doi:10.12691/ijp-8-2-2
  • Figure 1. Relaxed structure of pristine and Au doped BNNT. (a) pristine, (b) C-Au2B58, (c) RAu2B58, (d) C-Au3B57, (e) R-Au3B57, (f) C-Au4B56, (g) R-Au4B56, (h) C-Au5B55, (i) R-Au5B55
  • Figure 2. Changing of roughnes of tube by doping
  • Figure 3. Formation energy of chain modes and random modes
  • Figure 4.
  • Figure 5. DOS and band energy of pristine and Au doped BNNTs
  • Figure 6. HOMO-LUMO gap of chain modes and random modes