Paper Title:
Influence of Oxygen on the Absorption of Silicon Carbide Nanoparticles
  Abstract

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.

  Info
Periodical
Materials Science Forum (Volumes 679-680)
Edited by
Edouard V. Monakhov, Tamás Hornos and Bengt. G. Svensson
Pages
520-523
DOI
10.4028/www.scientific.net/MSF.679-680.520
Citation
M. Vörös, P. Deák, T. Frauenheim, A. Gali, "Influence of Oxygen on the Absorption of Silicon Carbide Nanoparticles", Materials Science Forum, Vols. 679-680, pp. 520-523, 2011
Online since
March 2011
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