Synthesis, characterization and computational simulation of hybrid APbX3 (a = CS and CH3NH3; X = i, CL e Br) perovskites

• Grant number: 18/14181-0
• Support type: Scholarships in Brazil - Doctorate (Direct)
• Effective date (Start): October 01, 2018
• Status: Discontinued
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal researcher: José Antonio Souza
• Grantee: Ariany Bonadio
• Home Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil
• Associated research grant: 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties, AP.TEM
• Associated scholarship(s): 21/10585-2 - Synthesis and physical properties of 0D and 2D halide perovskites, BE.EP.DD

Abstract

The compounds with perovskite structure have been extensively studied to be used in photovoltaic cell architectures due to the high efficiency in the conversion of solar energy. In this project, it is intended to synthesize organic/inorganic hybrid compounds with the general formula APbX3, where A = Cs or CH3NH3 and X = I, Cl or Br. These compositions present structural phase transitions in different temperature range which directly influence the band gap energy value. The thermal, structural, morphological and electric transport properties will be studied according to the space group symmetry of each compound and compared with computational simulations. Interface phenomena (APbX3 - moisture) that lead to the perovskite structure degradation will also be studied regarding to the space group symmetry. (AU)

Scientific publications

(4)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

BONADIO, A.; DE OLIVEIRA, L. S.; POLO, A. S.; SOUZA, J. A.. Liquid water-induced growth of the 1D morphology of CH3NH3PbI3 hybrid perovskites. CrystEngComm, v. 21, n. 48, p. 7365-7372, DEC 28 2019. (18/14181-0, 17/02317-2, 18/15682-3)

TOFANELLO, A.; FREITAS, A. L. M.; DE QUEIROZ, T. B.; BONADIO, A.; MARTINHO, H.; SOUZA, J. A.. agnetism in a 2D Hybrid Ruddlesden-Popper Perovskite through Charge Redistribution Driven by an Organic Functional Space. Journal of Physical Chemistry Letters, v. 13, n. 6, p. 1406-1415, FEB 17 2022. (18/15682-3, 18/14181-0, 20/09563-1, 17/02317-2, 20/13466-1)

BONADIO, A.; SABINO, F. P.; TOFANELLO, A.; FREITAS, A. L. M.; DE PAULA, V. G.; DALPIAN, G. M.; SOUZA, J. A.. Tailoring the Optical, Electronic, and Magnetic Properties of MAPbI(3) through Self-Assembled Fe Incorporation. Journal of Physical Chemistry C, v. 125, n. 28, p. 15636-15646, JUL 22 2021. (18/14181-0, 20/09563-1, 19/21656-8, 18/15682-3, 17/02317-2)

BONADIO, A.; ESCANHOELA, JR., C. A.; SABINO, F. P.; SOMBRIO, G.; DE PAULA, V. G.; FERREIRA, F. F.; JANOTTI, A.; DALPIAN, G. M.; SOUZA, J. A.. Entropy-driven stabilization of the cubic phase of MaPbI(3) at room temperature. JOURNAL OF MATERIALS CHEMISTRY A, v. 9, n. 2, p. 1089-1099, JAN 14 2021. (19/21656-8, 17/02317-2, 18/14181-0, 19/01785-8, 18/15682-3)