Work

Tuning the Electronic and Optical Properties of Cu2ZnSn1−xGexS4 Alloys for Photovoltaic Applications: A Hybrid Density Functional Theory and Device Simulation Approach

Year: 2024

Type: article

Abstract: ABSTRACT In this study, we explore the electronic and optical properties of Cu2ZnSn1−xGexS4 using density functional theory combined with hybrid functional calculations. Alloying Cu2ZnSnS4 with Ge and the formation of a band gap gradient are investigated as strategies to improve the efficiency of single‐junction photovoltaic (PV) devices and as top cells in tandem solar cells. Our findings reveal that increasing Ge concentration leads to a rise in the band gap, with a small bowing constant (b ≈ 0.02 eV) indicating good miscibility of Ge in the host lattice. The electronic properties suggest that lower Ge incorporation may be optimal for PV applications. Additionally, device simulations were conducted to evaluate the impact of Cu2ZnSn1−xGexS4 layer thickness on device performance, with and without a back surface field. The integration of first‐principles calculations with SCAPS‐1D simulations offers a comprehensive framework for predicting the performance of Cu2ZnSn1−xGexS4 solar cells, highlighting the potential of Ge alloying for enhancing PV efficiency.

Source: Battery energy

DOI: 10.1002/bte2.20240066

Authors: Souraya Goumri‐Said, Mohamed Issam Ziane, Mousaab Belarbi, Mohammed Benali Kanoun

Institutions: Alfaisal University, École Nationale Polytechnique d'Oran, Prince Sultan University

Language: English

Topic: Chalcogenide Semiconductor Thin Films

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

SDG: Affordable and clean energy

Open Access status: gold

Estimated APC paid: