Adsorption phenomena of gas molecules upon Ga-doped BN nanotubes: A DFT study

- The adsorption phenomena of H2S, HS, H2O2, and H2CO upon Ga-doped (8, 0) and (5, 5) BN nanotubes are studied using DFT calculations.
- The significant charge transfers confirm the DOS changes near the Fermi level.
- The interaction energies introduce Ga-doped (8, 0) BNNT as a promising sensor.