Investigating Optoelectronic Characteristics and Improving the Efficiency of Mg3AsBr3 Perovskite Solar Cells through Machine Learning and Numerical Simulations Utilizing Diverse Charge Transport Materials DOI

Asadul Islam Shimul,

Avijit Ghosh, Maqsood Ahmed

et al.

Langmuir, Journal Year: 2025, Volume and Issue: unknown

Published: May 20, 2025

This study investigates the optoelectronic characteristics of cubic perovskite Mg3AsBr3 for photovoltaic (PV) applications through first-principles density functional theory (DFT), driven by increasing interest in perovskites renewable energy solutions. is explored as an absorber layer conjunction with Cu2O hole transport (HTL) and various electron layers (ETLs), specifically WS2, ZnO, PC60BM, C60. SCAPS-1D simulations were employed to optimize parameters including doping concentration, thickness, defect charge layers. The results show significant variations power conversion efficiency (PCE) depending on ETL choice. Al/FTO/WS2/Mg3AsBr3/Cu2O/Au configuration exhibited optimal performance, achieving a VOC 1.03 V, FF 88.06%, PCE 32.55%, JSC 36.01 mA/cm2. Configurations utilizing C60 ETLs attained 32.47, 32.21, 31.63%, respectively. underscores significance choosing appropriate solar cell (PSC) performance. assesses aspects band alignment, density, series-shunt resistances that affect device durability. validated against wxAMPS simulations, machine learning model was created, forecasting essential performance metrics 84% accuracy. proposed optimized configurations improve sustainability PSCs.

Language: Английский

Study of physical properties of novel perovskite FrJCl3 (J = Be, Mg) materials: DFT predictions for photovoltaic applications DOI
Shoukat Hussain, Abhinav Kumar, Soumaya Gouadria

et al.

Journal of Materials Science Materials in Electronics, Journal Year: 2025, Volume and Issue: 36(11)

Published: April 1, 2025

Language: Английский

Citations

0
Effect of hydrostatic pressure on crystal structure and properties of energetic silver-based molecular perovskite DOI
Feng Gu, Ji Jun Xiao

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 135, P. 221 - 236

Published: May 8, 2025

Language: Английский

Citations

0
Investigating Optoelectronic Characteristics and Improving the Efficiency of Mg3AsBr3 Perovskite Solar Cells through Machine Learning and Numerical Simulations Utilizing Diverse Charge Transport Materials DOI

Asadul Islam Shimul,

Avijit Ghosh, Maqsood Ahmed

et al.

Langmuir, Journal Year: 2025, Volume and Issue: unknown

Published: May 20, 2025

This study investigates the optoelectronic characteristics of cubic perovskite Mg3AsBr3 for photovoltaic (PV) applications through first-principles density functional theory (DFT), driven by increasing interest in perovskites renewable energy solutions. is explored as an absorber layer conjunction with Cu2O hole transport (HTL) and various electron layers (ETLs), specifically WS2, ZnO, PC60BM, C60. SCAPS-1D simulations were employed to optimize parameters including doping concentration, thickness, defect charge layers. The results show significant variations power conversion efficiency (PCE) depending on ETL choice. Al/FTO/WS2/Mg3AsBr3/Cu2O/Au configuration exhibited optimal performance, achieving a VOC 1.03 V, FF 88.06%, PCE 32.55%, JSC 36.01 mA/cm2. Configurations utilizing C60 ETLs attained 32.47, 32.21, 31.63%, respectively. underscores significance choosing appropriate solar cell (PSC) performance. assesses aspects band alignment, density, series-shunt resistances that affect device durability. validated against wxAMPS simulations, machine learning model was created, forecasting essential performance metrics 84% accuracy. proposed optimized configurations improve sustainability PSCs.

Language: Английский

Citations

0