10.1021/acs.inorgchem.5b01237.s002
Samara Schmidt
Samara
Schmidt
Evaldo T. Kubaski
Evaldo T.
Kubaski
Diogo P. Volanti
Diogo P.
Volanti
Thiago Sequinel
Thiago
Sequinel
Vinicius Danilo N. Bezzon
Vinicius
Danilo N. Bezzon
Armando Beltrán
Armando
Beltrán
Sergio M. Tebcherani
Sergio M.
Tebcherani
José A. Varela
José A.
Varela
Effect of Pressure-Assisted Heat Treatment on Photoluminescence
Emission of α‑Bi<sub>2</sub>O<sub>3</sub> Needles
American Chemical Society
2015
XPS
Bi
PL emission intensity
PAHT
DFT
2O
form defect donor states
PL properties
MAH
2015-11-02 00:00:00
Dataset
https://acs.figshare.com/articles/dataset/Effect_of_Pressure_Assisted_Heat_Treatment_on_Photoluminescence_Emission_of_Bi_sub_2_sub_O_sub_3_sub_Needles/2116003
Materials with high photoluminescence
(PL) intensity can potentially be used in optical and electronic devices.
Although the PL properties of bismuth(III) oxide with a monoclinic
crystal structure (α-Bi<sub>2</sub>O<sub>3</sub>) have been
explored in the past few years, methods of increasing PL emission
intensity and information relating PL emission to structural defects
are scarce. This research evaluated the effect of a pressure-assisted
heat treatment (PAHT) on the PL properties of α-Bi<sub>2</sub>O<sub>3</sub> with a needlelike morphology, which was synthesized
via a microwave-assisted hydrothermal (MAH) method. PAHT caused an
angular increase between the [BiO<sub>6</sub>]–[BiO<sub>6</sub>] clusters of α-Bi<sub>2</sub>O<sub>3</sub>, resulting in a
significant increase in the PL emission intensity. The Raman and XPS
spectra also showed that the α-Bi<sub>2</sub>O<sub>3</sub> PL
emissions in the low-energy region (below ∼2.1 eV) are attributed
to oxygen vacancies that form defect donor states. The experimental
results are in good agreement with first-principles total-energy calculations
that were carried out within periodic density functional theory (DFT).