First principles study of structural, electronic and optical properties of Cs-doped CH3NH3PbI3 for photovoltaic applications
| Autor: | Manish K. Kashyap, Ankur Taya, Priti Rani, Jyoti Thakur |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Materials science business.industry Band gap Photovoltaic system Doping Halide 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Surfaces Coatings and Films Pseudopotential Attenuation coefficient 0103 physical sciences Optoelectronics 0210 nano-technology business Absorption (electromagnetic radiation) Instrumentation Perovskite (structure) |
| Zdroj: | Vacuum. 160:440-444 |
| ISSN: | 0042-207X |
| DOI: | 10.1016/j.vacuum.2018.12.008 |
| Popis: | Hybrid halide perovskites (HHPs) based solar cells have revolutionized the photovoltaic landscape by demonstrating the power conversion efficiencies (PCE) exceeding 23% at a low cost. Through first-principles pseudopotential calculations, we have investigated the structural, electronic and optical properties of Pb-based HHP, CH3NH3PbI3 (MAPbI3) and analyzed the effect of incorporating inorganic Cs+ at methyl ammonium (MA+) cation site in MAPbI3. Our results reveal that 12.5% of Cs-doping slightly enhances the absorption coefficient of MAPbI3, making it a promising candidate for highly efficient perovskite solar cells. This optical absorption is decided by the trade-off between widening of the band gap and increase of DOS in sub-VBM region on Cs-doping. Further, the compositional degradation of MAPbI3 can be prevented with this doping and the solar cells based on it can be used for the longer time. |
| Databáze: | OpenAIRE |
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