Ab-initio modeling of oxygen on the surface passivation of 3CSiC nanostructures

► The electronic properties of SiC nanostructures were theoretically studied. ► The systems surface dangling bonds were passivated with H atoms and OH radicals. ► OH passivation is energetically favorable in SiC nanostructures. ► The OH saturation produces a reduction of the band gap compared to the H termination. ► In porous SiC, OH termination distorts the lattice and changes the band gap feature.