Solution-Free Melt-Grown CsGeI3 Polycrystals for Lead-Free Perovskite Photovoltaics: Synthesis, Characterization, and Theoretical Insights

Inorganic lead-free metal halide perovskites are being rigorously explored as a substitute for organic lead-based materials for various energy device applications. Germanium as a replacement for lead has been proven to give exemplary results theoretically, and there have been promising results. The...

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Bibliographic Details
Published in:Journal of electronic materials 2024-10, Vol.53 (10), p.6090-6097
Main Authors: Panjikaran, Mariot Jose, Pramitha, A., Mishra, Vikash, Hegde, Ganesh Shridhar, Prabhu, Ashwatha Narayana, Choudhari, Nagabhushan Jnaneshwar, Timoumi, Abdelmajid, Raviprakash, Y.
Format: Article
Language:English
Subjects:
Approximation
Characterization and Evaluation of Materials
Chemistry and Materials Science
Cost analysis
Diffuse reflectance spectroscopy
Electronics and Microelectronics
Energy conversion efficiency
Germanium
Instrumentation
Lead free
Light emitting diodes
Materials Science
Metal halides
Optical and Electronic Materials
Optical properties
Original Research Article
Perovskites
Photoluminescence
Photovoltaic cells
Polycrystals
Raman spectroscopy
Solar cells
Solid State Physics
Spectroscopic analysis
Spectrum analysis
Stability analysis
Synthesis
Thermal degradation
Thermogravimetric analysis
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Summary:Inorganic lead-free metal halide perovskites are being rigorously explored as a substitute for organic lead-based materials for various energy device applications. Germanium as a replacement for lead has been proven to give exemplary results theoretically, and there have been promising results. The current work presents the investigation of CsGeI 3 (CGI) polycrystals grown using a solution-free melt-growth technique with low-cost precursors. A soak-ramp profile was designed to synthesize polycrystalline powders, which were evaluated for stability. X-ray diffraction and Raman spectroscopy analysis suggest the formation of CsGeI 3 perovskite powders, matching the reported literature. Diffuse reflectance spectroscopy measurements showed the bandgap of the polycrystals to be around 1.6 eV. A prominent photoluminescence peak was obtained at 767 nm. The powders were examined using thermogravimetric analysis to assess the thermal degradation pathways. The as-grown inorganic perovskite polycrystals were relatively stable during storage under ambient conditions. Theoretical studies were also carried out to support the experimental data. Calculations were performed with different approximations, including local density approximation (LDA), generalized gradient approximation (GGA), and Heyd–Scuseria–Ernzerhof (HSE) approximation, out of which the HSE approximation yielded the most accurate results that matched the experimental findings. Moreover, for the CGI device with Ag electrodes simulated using SCAPS-1D software, highest incident photon-to-electron conversion efficiency was observed. The obtained optical and structural properties indicate the suitability of the synthesized CsGeI 3 perovskite polycrystals for photovoltaic applications, specifically solar cells and light-emitting diodes.
ISSN:0361-5235
1543-186X
DOI:10.1007/s11664-024-11377-2