Article ID Journal Published Year Pages File Type
5364907 Applied Surface Science 2012 6 Pages PDF
Abstract
► 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.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Ab-initio modeling of oxygen on the surface passivation of 3CSiC nanostructures
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