Chemistries of Materials in Perovskite Solar Cells Revealed by Electronic-Structure Informatics

2017 ◽  
Author(s):  
Manabu Sugimoto ◽  
Jing-Shuang Dang ◽  
Wei-Wei Wang ◽  
Ryota Jono ◽  
Hiroshi Segawa
Keyword(s):  
Electronic Structure ◽  
Solar Cells ◽  
Perovskite Solar Cells

scholarly journals Atomic-Scale Model and Electronic Structure of Cu2O/CH3NH3PbI3 Interfaces in Perovskite Solar Cells

2020 ◽  
Vol 12 (40) ◽  
pp. 44648-44657 ◽  
Author(s):  
Jesús E. Castellanos-Águila ◽  
Lucas Lodeiro ◽  
Eduardo Menéndez-Proupin ◽  
Ana L. Montero-Alejo ◽  
Pablo Palacios ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solar Cells ◽  
Perovskite Solar Cells ◽  
Atomic Scale ◽  
Scale Model

First principles modelling of perovskite solar cells based on TiO2 and Al2O3: stability and interfacial electronic structure

2017 ◽  
Vol 5 (5) ◽  
pp. 2339-2345 ◽  
Author(s):  
Ali Akbari ◽  
Javad Hashemi ◽  
Edoardo Mosconi ◽  
Filippo De Angelis ◽  
Mikko Hakala
Keyword(s):  
Electronic Structure ◽  
Solar Cells ◽  
First Principles ◽  
Perovskite Solar Cells ◽  
Interfacial Electronic Structure ◽  
Amorphous Alumina ◽  
Poor Stability

Dissociation of CH3NH3 molecules at the interface of perovskite with amorphous alumina, a cause for poor stability of this type of perovskite solar cells.

Electronic Structure of Lead-Free Halide Perovskite Material: Cs2SnI6, for Perovskite Solar Cells Applications

2021 ◽  
Vol 1028 ◽  
pp. 210-214
Author(s):  
Yolla Sukma Handayani ◽  
Priastuti Wulandari ◽  
Herman ◽  
Rahmat Hidayat
Keyword(s):  
Electronic Structure ◽  
Solar Cells ◽  
Density Functional ◽  
Perovskite Solar Cells ◽  
Lead Free ◽  
Hybrid Functional ◽  
Perovskite Material ◽  
Calculation Results ◽  
Halide Perovskite ◽  
Quantum Espresso

Perovskite solar cells have been investigated intensively due to their promising performance which increased significantly since it was found a few years ago. In this paper, we reported the computational results of electronic structures of lead-free halide perovskite material, Cs2SnI6. This perovskite has been much reported recently because of its properties as electron transport material. Its electronic structure was computationally calculated based on the Density Functional Theory (DFT) by using the Quantum Espresso computational package, implemented by using the Perdew-Burke-Ernzerhof (PBE) of scalar relativistic exchange-correlation functional and the HSE06 hybrid functional. The calculation results show that Cs2SnI6 has a direct bandgap of 0.28 eV and 0.82 eV for the calculation by using PBE and HSE06, respectively. The calculation using HSE06 results produce a closer result to the experimental data.

A thiourea additive-based quadruple cation lead halide perovskite with an ultra-large grain size for efficient perovskite solar cells

Nanoscale ◽  
2019 ◽  
Vol 11 (45) ◽  
pp. 21824-21833 ◽  
Author(s):  
Jyoti V. Patil ◽  
Sawanta S. Mali ◽  
Chang Kook Hong
Keyword(s):  
Thin Films ◽  
Grain Size ◽  
Solar Cells ◽  
Power Conversion Efficiency ◽  
Conversion Efficiency ◽  
Power Conversion ◽  
Perovskite Solar Cells ◽  
Inorganic Perovskite ◽  
Halide Perovskite ◽  
Lead Halide

Controlling the grain size of the organic–inorganic perovskite thin films using thiourea additives now crossing 2 μm size with >20% power conversion efficiency.

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