SCAPS-1D Simulation Dataset for Cs2AgBiBr6 Double Perovskite Solar Cell Optimization

Description

This dataset contains supporting computational data for the investigation and optimization of a lead-free Cs₂AgBiBr₆ double-perovskite solar cell using Density Functional Theory (DFT), SCAPS-1D device simulation, and Random Forest machine learning. The dataset includes DFT computational parameters, SCAPS-1D device parameters, absorber-thickness optimization results, bulk-defect-density analysis, optimized photovoltaic parameters, and Random Forest model configuration and performance metrics. The data support the analysis of the FTO/SnO₂/Cs₂AgBiBr₆/NiOₓ/Au photovoltaic device under AM 1.5G illumination.

Steps to reproduce

The dataset was generated from SCAPS-1D simulations of the FTO/SnO2/Cs2AgBiBr6/NiOx/Au photovoltaic device under AM 1.5G illumination. The absorber thickness and bulk defect density were varied systematically, and photovoltaic parameters including Voc, Jsc, FF, and PCE were recorded. The resulting data were used for Random Forest regression analysis.

Institutions

• Vikrant University

  Madhya Pradesh, Gwalior

Categories

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