Figure 4

Electronic band structure and projected DOS with NH ₃ adsorbed at facets other than {110}. Electronic band structures, NH₃ adsorption yields n-type doping, pining the Fermi level at the bottom of the conduction band (left panels) for SiNWs along the (a) [112], (b) [110], and (c) [001], directions. The projected DOS (right panels) illustrates the contribution of the molecular orbitals.