Influence of Oxygen on the Absorption of Silicon Carbide Nanoparticles
We have investigated the absorption of 0.9, 1.4 nm silicon carbide nanoparticles (SiC NPs) by time-dependent density functional calculations, focusing on the effect of different oxygen adsorbates of the surface. We have found that negatively charged Si-O−, Si-COO− defects dramatically lower the optical gap of SiC NPs. Our findings can help interpret recent controversary experiments on colloidal SiC NPs.
Edouard V. Monakhov, Tamás Hornos and Bengt. G. Svensson
M. Vörös et al., "Influence of Oxygen on the Absorption of Silicon Carbide Nanoparticles", Materials Science Forum, Vols. 679-680, pp. 520-523, 2011