Figure 2.

Energy band gap structure of Bulk silicon and nanonets with the same cell size: 4 × 4 × 1 supercell.aBulk Si (VBM: G, CBM: 1/3GZ, Eg: 0.71 eV),b100XB4W4P16O (VBM: G, CBM: X, Eg: 0.74 eV),c100X4B5W3P29O (VBM: G, CBM: G, Eg: 0.49 eV),d100X4B6W2P45O (VBM: G, CBM: G, Eg: 0.32 eV),e100D4B4W2P33O (VBM: G, CBM: M, Eg: 0.90 eV),f110X4B4W4P14OH (VBM: X CBM: 1/6 GZ or 1/3 GZ Eg: 0.94 eV),g110X4B6W2P39OH (VBM: X, CBM: G, Eg: 1.07 eV),h110D4B6W2P20OH (VBM: M, CBM: X, Eg: 0.90 eV)

Lin et al. Nanoscale Research Letters 2009 4:409-413   doi:10.1007/s11671-009-9259-0