title: Electronic and optical properties of chlorinated silicon nanoparticles.
abstract: First-principles calculations are used to investigate the structure, electronic and optical properties of silicon nanocystals with chlorine-passivated surface. The nanocrystals considered were approximately spherical, with diameters between 1.5 and 3.0 nm. We show that the nanocrystals with chlorinated surface have a smaller bandgap, lower optical absorption threshold, and greater ionization energy and electron affinity than hydrogenated silicon nanocrystals of the same size.
authors: Department of Physics, 13N, University of Aveiro, 3810-193 Aveiro, Portugal.
authors: Alexandra
authors: A
authors: Carvalho
authors: Sven
authors: S
authors: Oberg
authors: Mark J
authors: MJ
authors: Rayson
authors: Patrick R
authors: PR
authors: Briddon