INVESTIGADORES
SCHVVAL Ana Belen
artículos
Título:
Synthesis and Theoretical Experimental Characterization of BiOBr: The Role of Oxygen and Halide Vacancies on the Optoelectric Properties of this Bismuth Oxyhalide
Autor/es:
CECILIA I. N. MORGADE; ANA B. SCHVVAL; SILVIA FUENTE; JUAN C. DURÁN ÁLVAREZ; CAMILA BUONO; P. MARIELA DESIMONE; CELSO M. ALDAO; GABRIELA F. CABEZA
Revista:
TOPICS IN CATALYSIS
Editorial:
SPRINGER/PLENUM PUBLISHERS
Referencias:
Lugar: Berlin; Año: 2022
ISSN:
1022-5528
Resumen:
In the present work, we report the synthesis and theoretical?experimental characterization of BiOBr employing X-ray diffraction,Raman spectroscopy, conductivity measurements, and first principles calculations based on Functional DensityTheory (DFT). This work aims to elaborate on the impact of optoelectronic properties by the presence of oxygen and halogenvacancies in the bismuth oxybromide. To our knowledge, this is the first detailed study of the optical properties of reducedBiOBr. The results included in this work could explain, for the first time, the peculiarities of the changes observed in thedielectric function (real and imaginary part) as well as the related quantities such as absorption coefficient, refractive index,reflectivity and extinction coefficient. It was also possible to determine the vibrational modes of the stoichiometric systemusing in combination Raman and DFT calculations.
