Figure 1
From: First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets
Schematic view ofa 100X4B5W3P29O,b 100D5B5W2P29O,c 110D4B6W2P20OH.d 110X4B6W2P20OH, ande special points in the reciprocal space of nanonets. For (a)–(d), 100 or 110 represents the orientations of the pore sides, Xi or Di depends on the shapes and the sizes of the primitive cell of the silicon nanonets, Bj indicates the bore diameters of the nanopore, Wk is the minimal widths of the nanowall, Pn means the porosities of the silicon nanonets. OH means the nanowalls are OH-passivated, while O indicates the nanowalls are passivated by Si–O–Si. The crystal orientations of the primitive cells of the 100D and 110X nanonets have a 45° rotation compared with the other two models: thex andy-axis of 100X and 110D are [100], while [110] for 110X and 110D