Figure 6

Electronic band structure and projected DOS for NH ₃ adsorption on a [111]-oriented SiNW Electronic band structures (left panels), showing a deep state, a donor shallow state close to the conduction band edge and a donor state fell inside the conduction band for ( a ) 1. 0-, (b) 1.5-, and (c) 2.0-nm-thick SiNWs, respectively. The projected DOS (right panels) illustrates the contribution of the molecular orbitals.