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. 2024 Nov 18;14(49):36675-36697.
doi: 10.1039/d4ra07912d. eCollection 2024 Nov 11.

Evaluation of design and device parameters for lead-free Sr3PBr3/Sr3NCl3 duel-layer perovskite photovoltaic device technology

Md Shamim Reza  1 , Avijit Ghosh  1 , Nidhal Drissi  2 , Hmoud Al-Dmour  3 , Ripan Kumar Prodhan  4 , Md Majharul Islam  4 , Shirin Begum  5 , Md Selim Reza  1 , Sabina Sultana  6
Affiliations

Evaluation of design and device parameters for lead-free Sr3PBr3/Sr3NCl3 duel-layer perovskite photovoltaic device technology

Md Shamim Reza et al. RSC Adv. .

Abstract

The study looks into how Sr3PBr3 and Sr3NCl3 double perovskite materials can be used as absorbers in perovskite solar cells (PSCs). Computational Sr3PBr3 and Sr3NCl3 simulations were employed to assess the performance of each absorber together with electron transport layers (ETL), with a particular emphasis on optimizing ETL thickness to improve charge transport and synchronize current outputs. The simulations yielded valuable insights into the electronic and optical characteristics of the individual absorbers. Subsequently, a tandem simulation was performed to adjust each layer's thickness, ensuring that both devices' current outputs were aligned for maximum system efficiency. The findings revealed that the tandem configuration of Sr3PBr3 and Sr3NCl3 surpassed the performance of the individual absorber setups, attributed to the optimized ETL thicknesses that enhanced charge transport and facilitated effective current matching. This study makes a significant contribution to the design and optimization of tandem PSCs utilizing Sr3PBr3 and Sr3NCl3 absorbers, paving the way for improved overall device efficiency. We investigated three device configurations to find the optimum structure. FTO/SnS2/Sr3PBr3/Ni, FTO/SnS2/Sr3NCl3/Ni, and FTO/SnS2/Sr3PBr3/Sr3NCl3/Ni are considered as Device-I, II, and III. In Device-I, the execution parameters are power conversion efficiency (PCE) of 24.26%, an open-circuit voltage (V OC) of 1.23 V, a short-circuit current density (J SC) of 24.65 mA cm-2, and a fill factor (FF) of 87.42%. For Device-II, PCE, FF, V OC, and J SC are correspondingly 20.35%, 87.91%, 1.28 V, and 18.07 mA cm-2. The further refined tandem configuration achieved a PCE of 30.32%, with a V OC of 1.27 V, an FF of 90.14%, and a J SC of 26.44 mA cm-2, demonstrating the potential of this methodology in enhancing PSC performance.

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Conflict of interest statement

The authors have no conflicts of interest.

Figures

Fig. 1
Fig. 1. Diagrammatic and band alignment designs set up of (a and b) Device-I, (c and d) Device-II, and (e and f) Device-III.
Fig. 2
Fig. 2. Effect of metal in left touch for best Device-III (a) VOC, (b) JSC, (c) FF, and (d) PCE.
Fig. 3
Fig. 3. A band configuration of three varieties of SCs, incorporating various substances that absorb light: (a) Sr3PBr3, (b) Sr3NCl3, (c) Sr3PBr3/Sr3NCl3 bilayer combination.
Fig. 4
Fig. 4. An analysis of the role of (a) thickness, (b) doping concentration, and (c) defect density of the absorber layer in determining the performance of SCs in Devices I and II.
Fig. 5
Fig. 5. The electrical specifications, which include (a) VOC, (b) JSC, (c) FF, and (d) PCE, were established by changing the two active layers' respective thicknesses.
Fig. 6
Fig. 6. Effects of the density of bulk defects adjustments vs. Sr3PBr3 absorber doping on PV characteristics; (a) VOC (b) JSC (c) FF and (d) PCE utilizing SnS2 as the ETL.
Fig. 7
Fig. 7. Effects of the density of bulk defects adjustments vs. Sr3NCl3 absorber doping on PV characteristics; (a) VOC (b) JSC (c) FF and (d) PCE utilizing SnS2 as the ETL.
Fig. 8
Fig. 8. Effects of interface densities of defect on the performance metrics of the PSC: (a) VOC, (b) JSC, (c) FF, and (d) PCE.
Fig. 9
Fig. 9. Influence of (a) thickness, (b) doping concentration, and (c) defect density of the ETL layer on Devices I, II, and III's solar cell performance.
Fig. 10
Fig. 10. The contribution of shunt and series resistance to the overall electrical execution of PSCs is demonstrated in terms of (a) VOC, (b) JSC, (c) FF, and (d) PCE, specifically for the optimized structure of (FTO/SnS2/Sr3PBr3/Sr3NCl3/Ni).
Fig. 11
Fig. 11. The effect of temperature changes on solar cells.
Fig. 12
Fig. 12. An analysis of the absorption coefficient is conducted for the ideal SC architecture of FTO/SnS2/Sr3PBr3/Sr3NCl3/Ni, specifically for the materials: (a) Sr3PBr3, (b) Sr3NCl3, (c) SnS2, and (d) FTO.
Fig. 13
Fig. 13. An examination of the (a) J–V and (b) Q-E curves associated with both frameworks is provided.
Fig. 14
Fig. 14. Influence of absorber layer thickness on (a and b) carrier generation and recombination rates (c and d) electron and hole concentration.
Fig. 15
Fig. 15. The improved optimized framework construction.
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