Issue 27, 2024

Germanium doping effect on the photoelectronic performance of alternating cations in the interlayer space GA(MA)3(Pb1−xGex)3I10

Abstract

The perovskite solar cells (PSCs), based on the two-dimensional (2D) perovskites stabilized by alternating cations in the interlayer space (ACI), have recently received remarkable attention due to the impressive power conversion efficiency (PCE) exceeding 18%. Pursuing ways to alleviate the toxicity of lead has emerged as a hot topic in the community of PSCs. Herein, we investigate potential alternatives to ACI 2D GA(MA)3Pb3I10 perovskites by replacing lead with germanium (Ge) of various compositions using first-principles calculations. We demonstrate the pivotal role of Ge doping in finely adjusting the bandgap, enhancing broad-emission features, and improving Stokes shifts and Huang–Rhys factors. Fabricating GA(MA)3(Pb1−xGex)3I10 candidates, especially within the range from 8.3% to 50% Ge content, demonstrate minor energy level offsets at the conduction band minimum adjacent to the electron transport layer. Significantly, GA(MA)3(Pb0.083Ge0.917)3I10 exhibits the strongest carrier transport ability, with the highest electron mobility of 2492.9 cm2 V−1 s−1. Moreover, compositions ranging from 8.3% to 75% exhibit improved optical-electronic properties and photovoltaic response compared to GA(MA)3Pb3I10, with GA(MA)3(Pb0.75Ge0.25)3I10 and GA(MA)3(Pb0.667Ge0.333)3I10 standing out with PCE values exceeding 22%, positioning them as promising photo-absorber candidates for photovoltaic applications. Our findings provide valuable insights into the significant role of Ge doping in shaping the distinctive photoelectronic properties of ACI 2D GA(MA)3(Pb1−xGex)3I10 perovskites, thereby paving the way for innovative approaches to advance their applications in optoelectronics.

Graphical abstract: Germanium doping effect on the photoelectronic performance of alternating cations in the interlayer space GA(MA)3(Pb1−xGex)3I10

Supplementary files

Article information

Article type
Paper
Submitted
31 Mar 2024
Accepted
02 Jun 2024
First published
03 Jun 2024

J. Mater. Chem. A, 2024,12, 16466-16475

Germanium doping effect on the photoelectronic performance of alternating cations in the interlayer space GA(MA)3(Pb1−xGex)3I10

P. Sun, S. Yuan, W. Chi and G. Cai, J. Mater. Chem. A, 2024, 12, 16466 DOI: 10.1039/D4TA02141J

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