Theoretical study of the adsorption of CHO radicals on hexagonal boron nitride sheet: Structural and electronic changes

- An individual CHO radical is weakly adsorbed on the h-BN surface.
- It is more stable for CHO radicals to adsorb on the BN bond from the both sides of the h-BN sheet in pairs.
- Up to 40% CHO radicals can be adsorbed on the h-BN sheet.
- The band gap of h-BN sheet is decreased in various ways after CHO radical adsorption, leading to the enhancement of its electronic conductivity.