Synthesis and Theoretical-Experimental Characterization of BiOBr: The Role of Oxygen and Halide Vacancies on the Optoelectric Properties of this Bismuth Oxyhalide
Por:
Morgade, Cecilia I. N., Schvval, Ana B., Fuente, Silvia A., Duran-Alvarez, Juan C., Buono, Camila, Mariela Desimone, P., Aldao, Celso M., Cabeza, Gabriela F.
Publicada:
1 jun 2022
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 Density Theory (DFT). This
work aims to elaborate on the impact of optoelectronic properties by the
presence of oxygen and halogen vacancies in the bismuth oxybromide. To
our knowledge, this is the first detailed study of the optical
properties of reduced BiOBr. The results included in this work could
explain, for the first time, the peculiarities of the changes observed
in the dielectric 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 system using in
combination Raman and DFT calculations.
Filiaciones:
Morgade, Cecilia I. N.:
Univ Nacl Sur, Dept Fis, IFISUR UNS CONICET, Avda Alem 1253, Bahia Blanca, Buenos Aires, Argentina
Univ Tecnol Nacl, FRBB, 11 Abril 461, Bahia Blanca, Buenos Aires, Argentina
Schvval, Ana B.:
Univ Nacl Sur, Dept Quim, INQUISUR UNS CONICET, Avda Alem 1253, Bahia Blanca, Buenos Aires, Argentina
Fuente, Silvia A.:
Univ Tecnol Nacl, FRBB, 11 Abril 461, Bahia Blanca, Buenos Aires, Argentina
Duran-Alvarez, Juan C.:
Univ Nacl Autonoma Mexico, Inst Ciencias Aplicadas & Tecnol, Ciudad De Mexico, Mexico
Buono, Camila:
Univ Nacl Mar del Plata, CONICET, Inst Invest Cient & Tecnol Elect ICYTE, Juan B,Justo 4302,B7608FDQ, Mar Del Plata, Argentina
Mariela Desimone, P.:
Univ Mar del Plata, CONICET, Inst Ciencia & Tecnol Mat INTEMA, Av Colon 10850, Mar Del Plata, Argentina
Aldao, Celso M.:
Univ Nacl Mar del Plata, CONICET, Inst Invest Cient & Tecnol Elect ICYTE, Juan B,Justo 4302,B7608FDQ, Mar Del Plata, Argentina
Cabeza, Gabriela F.:
Univ Nacl Sur, Dept Fis, IFISUR UNS CONICET, Avda Alem 1253, Bahia Blanca, Buenos Aires, Argentina
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