Figure 6

Isosurfaces of the band gap edges of the Si-rich pSiC surface. The VBM and CBM orbitals of the (a) 3-oxygen and (b) 4-oxygen Si-rich pSiC surfaces with 40.6% porosity are depicted. The violet (lower panels) and green (higher panel) isosurfaces represent the VBM and CBM orbitals, respectively, with an isovalue of 0.04 Å⁻³ for the 3-oxygen surface and 0.02 Å⁻³ for the 4-oxygen surface.