TY - GEN
T1 - Optical properties and first principles study of CH3NH3PbBr3 perovskite structures for solar cell application
AU - Al Ghaithi, Asma O.
AU - Assa Aravindh, S.
AU - Hedhili, Mohamed N.
AU - Ng, Tien Khee
AU - Ooi, Boon S.
AU - Najar, Adel
N1 - Funding Information:
This work was supported by UAE University, under NSS Center Project No. 21R032 and UPAR-project No 31S306. S. Assa Aravindh gratefully acknowledge CSC-IT, Finland for computational resources and Academy of Finland (# 311934).
Funding Information:
Acknowledgements This work was supported by UAE University, under NSS Center Project No. 21R032 and UPAR-project No 31S306. S. Assa Aravindh gratefully acknowledge CSC-IT, Finland for computational resources and Academy of Finland (# 311934).
Publisher Copyright:
© Springer Nature Singapore Pte Ltd. 2021.
PY - 2021
Y1 - 2021
N2 - Solution-processed organic–inorganic hybrid perovskites have attracted attention as light-harvesting materials for solar cells and photonic applications. The present study focusses on cubic single crystal; microstructures of CH3NH3PbBr3 perovskite fabricated by a one-step solution based self-assembly method. It is seen that, in addition to the nucleation from the precursor solution, the crystallization occurs when the solution was supersaturated, followed by formation of small nucleus of CH3NH3PbBr3 that will self-assembled into bigger hollow cubes. A 3D fluorescence microscope investigation of hollow cubes confirmed the formation of hollow plates on the bottom, then the growth starts from the perimeter and propagate to the center of the cube. Furthermore, the growth in the (001) direction follows a layer-by-layer growth model to form a complete cube, confirmed by SEM observations. To get more insights into the structural and optical properties, density functional theory (DFT) simulations were conducted. The density of state (DOS) calculations revealed that the valence band maximum (VBM) consists of states contributed by Br and Pb, which agrees with the X-ray photoelectron spectroscopy valence band (XPSVB) measurements.
AB - Solution-processed organic–inorganic hybrid perovskites have attracted attention as light-harvesting materials for solar cells and photonic applications. The present study focusses on cubic single crystal; microstructures of CH3NH3PbBr3 perovskite fabricated by a one-step solution based self-assembly method. It is seen that, in addition to the nucleation from the precursor solution, the crystallization occurs when the solution was supersaturated, followed by formation of small nucleus of CH3NH3PbBr3 that will self-assembled into bigger hollow cubes. A 3D fluorescence microscope investigation of hollow cubes confirmed the formation of hollow plates on the bottom, then the growth starts from the perimeter and propagate to the center of the cube. Furthermore, the growth in the (001) direction follows a layer-by-layer growth model to form a complete cube, confirmed by SEM observations. To get more insights into the structural and optical properties, density functional theory (DFT) simulations were conducted. The density of state (DOS) calculations revealed that the valence band maximum (VBM) consists of states contributed by Br and Pb, which agrees with the X-ray photoelectron spectroscopy valence band (XPSVB) measurements.
KW - DFT
KW - Optical materials
KW - Perovskite
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U2 - 10.1007/978-981-15-6259-4_28
DO - 10.1007/978-981-15-6259-4_28
M3 - Conference contribution
AN - SCOPUS:85090047386
SN - 9789811562587
T3 - Lecture Notes in Electrical Engineering
SP - 275
EP - 282
BT - Proceedings of the 2nd International Conference on Electronic Engineering and Renewable Energy Systems, ICEERE 2020
A2 - Hajji, Bekkay
A2 - Naimi, Salah Eddine
A2 - Mellit, Adel
A2 - Marco Tina, Giuseppe
A2 - Rabhi, Abdelhamid
A2 - Launay, Jerome
PB - Springer
T2 - 2nd International Conference on Electronic Engineering and Renewable Energy, ICEERE 2020
Y2 - 13 April 2020 through 15 April 2020
ER -