Applied Surface Science, Vol.347, 265-268, 2015
Correlation of the 755-778 cm(-1) Raman mode with oxygen vacancies in tin oxide nanostructures
In tin oxide nanostructures, oxygen vacancies (OVs) usually determine optical properties and thus exact identification of both OV concentration and type is crucial to exploration of more applications. Currently, the 755-778 cm(-1) Raman mode is frequently observed and arbitrarily attributed to E-u (LO) or B-2g mode. In this work, we examine the Raman spectra of SnO2 nanocrystals prepared by laser ablation method and find that the Raman peak blueshifts from 755 to 778 cm(-1) with increasing annealing temperature in O-2. Spectral analysis and density functional calculations disclose that crystal symmetry destruction by bridging OVs makes B-2g mode (778 cm(-1)) redshift gradually and finally occupy Eu (LO) mode position (755 cm(-1)). Thus, it should not be assigned to Eu (LO) mode. (C) 2015 Elsevier B.V. All rights reserved.