Influence of oxygen on the absorption of silicon carbide nanoparticles

Márton Vörös, Péter Deák, Thomas Frauenheim, A. Gali

Research output: Chapter in Book/Report/Conference proceedingConference contribution

5 Citations (Scopus)

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.

Original languageEnglish
Title of host publicationMaterials Science Forum
Pages520-523
Number of pages4
Volume679-680
DOIs
Publication statusPublished - 2011
Event8th European Conference on Silicon Carbide and Related Materials, ECSCRM 2010 - Oslo, Norway
Duration: Aug 29 2010Sep 2 2010

Publication series

NameMaterials Science Forum
Volume679-680
ISSN (Print)02555476

Other

Other8th European Conference on Silicon Carbide and Related Materials, ECSCRM 2010
CountryNorway
CityOslo
Period8/29/109/2/10

Fingerprint

Adsorbates
Silicon carbide
silicon carbides
Density functional theory
Oxygen
Nanoparticles
nanoparticles
Defects
defects
oxygen
Experiments
silicon carbide
carboxyl radical

Keywords

  • Defects
  • Density functional theory
  • Nanoparticles
  • Optical properties
  • Silicon carbide

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering
  • Mechanics of Materials

Cite this

Vörös, M., Deák, P., Frauenheim, T., & Gali, A. (2011). Influence of oxygen on the absorption of silicon carbide nanoparticles. In Materials Science Forum (Vol. 679-680, pp. 520-523). (Materials Science Forum; Vol. 679-680). https://doi.org/10.4028/www.scientific.net/MSF.679-680.520

Influence of oxygen on the absorption of silicon carbide nanoparticles. / Vörös, Márton; Deák, Péter; Frauenheim, Thomas; Gali, A.

Materials Science Forum. Vol. 679-680 2011. p. 520-523 (Materials Science Forum; Vol. 679-680).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Vörös, M, Deák, P, Frauenheim, T & Gali, A 2011, Influence of oxygen on the absorption of silicon carbide nanoparticles. in Materials Science Forum. vol. 679-680, Materials Science Forum, vol. 679-680, pp. 520-523, 8th European Conference on Silicon Carbide and Related Materials, ECSCRM 2010, Oslo, Norway, 8/29/10. https://doi.org/10.4028/www.scientific.net/MSF.679-680.520
Vörös M, Deák P, Frauenheim T, Gali A. Influence of oxygen on the absorption of silicon carbide nanoparticles. In Materials Science Forum. Vol. 679-680. 2011. p. 520-523. (Materials Science Forum). https://doi.org/10.4028/www.scientific.net/MSF.679-680.520
Vörös, Márton ; Deák, Péter ; Frauenheim, Thomas ; Gali, A. / Influence of oxygen on the absorption of silicon carbide nanoparticles. Materials Science Forum. Vol. 679-680 2011. pp. 520-523 (Materials Science Forum).
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