Synergistic Energy Level Alignment and Light-Trapping Engineering for Optimized Perovskite Solar Cells
Source abstract
Abstract
Perovskite solar cells (PSCs) leverage the exceptional photoelectric properties of perovskite materials, yet interfacial energy level mismatches limit carrier extraction efficiency. In this work, energy level alignment was exploited to reduce the charge transport barrier, which can be conducive to the transmission of photo-generated carriers and reduce the probability of electron–hole recombination. We designed a dual-transition perovskite solar cell (PSC) with the structure of FTO/TiO2/Nb2O5/CH3NH3PbI3/MoO3/Spiro-OMeTAD/Au by finite element analysis methods. Compared with the pristine device (FTO/TiO2/CH3NH3PbI3/Spiro-OMeTAD/Au), the open-circuit voltage of the optimized cell increases from 0.98 V to 1.06 V. Furthermore, the design of a circular platform light-trapping structure makes up for the light loss caused by the transition at the interface. The short-circuit current density of the optimized device increases from 19.81 mA/cm2 to 20.36 mA/cm2, and the champion device’s power conversion efficiency (PCE) reaches 17.83%, which is an 18.47% improvement over the planar device. This model provides new insight for the optimization of perovskite devices.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Perovskite Materials and Applications · Conducting polymers and applications · Chalcogenide Semiconductor Thin Films
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Mathematics and Physics, Joint Laboratory for Extreme Conditions Matter Properties, The State Key Laboratory of Environment-Friendly Energy Materials, Tianfu Institute of Research and Innovation, Southwest University of Science and Technology, Mianyang 621010, China
School of Energy Science and Engineering, Central South University, Changsha 410083, China
School of Chemistry and Chemical Engineering, Jishou University, Jishou 416000, China
Funding
Sichuan Science and Technology Program
References (72)
Show source-provided references
1. Synergistically regulating energy band structure and forming quantum wells to enhance the photocatalytic activity of Bi2MoO6 for tetracycline removal10.1016/j.seppur.2025.131622 ↗
2. In3+-doping and oxygen vacancies co-engineering active sites of Bi2WO6 hollow nanospheres to achieve efficient photoreduction of CO2 to CO with nearly 100% selectivity10.1016/j.fuel.2025.135454 ↗
3. Interface-engineering enhanced photocatalytic conversion of CO2 into solar fuels over S-type Co-Bi2WO6@Ce-MOF heterostructured photocatalysts10.1016/j.jcis.2025.137452 ↗
4. Solar cell-based hybrid energy harvesters towards sustainability10.29026/oes.2023.230011 ↗
5. Buried interface molecular hybrid for inverted perovskite solar cells10.1038/s41586-024-07723-3 ↗
6. Photoelectric simulation of perovskite solar cells based on two inverted pyramid structures10.1016/j.physleta.2025.130653 ↗
7. Tunable strong plasmon–exciton coupling based modulator employing borophene and deep subwavelength perovskite grating10.1088/1361-6463/ace8a4 ↗
8. Meyer, E.L., Jakalase, S., Nqombolo, A., Rono, N., and Agoro, M.A. (2025). The Numerical Simulation of a Non-Fullerene Thin-Film Organic Solar Cell with Cu2FeSnS4(CFTS) Kesterite as a Hole Transport Layer Using SCAPS-1D. Coatings, 15.10.3390/coatings15030266 ↗
9. Enhanced CO2 photoreduction over S-scheme Sdoped-BiVO4/AgCl heterostructures and interface interaction mediated selective generation of CH410.1016/j.cej.2025.161444 ↗
10. Low-temperature water-processed NiO hole transport layers for high-efficiency CH3NH3PbI3 perovskite solar cells10.1016/j.optmat.2024.114997 ↗
11. CuS nanosheets as additives in the hole transport layers for stable p-i-n perovskite solar cells10.1016/j.nanoen.2025.110652 ↗
12. Ansari, F., Zheng, L., Pfeifer, L., Eickemeyer, F.T., Zakeeruddin, S.M., Lempesis, N., Carnevali, V., Vezzosi, A., Sláma, V., and Georges, T. (2025). Dopamine Dopes the Performance of Perovskite Solar Cells. Adv. Mater., e2501075.10.1002/adma.202501075 ↗
13. Yang, J., Li, X., Gu, J., Yu, F., Chen, J., Lu, W., and Chen, X. (2025). High-Stability WSe2 Homojunction Photodetectors via Asymmetric Schottky and PIN Architectures. Coatings, 15.10.3390/coatings15030301 ↗
14. Interfacial Crosslinking for Efficient and Stable Planar TiO2 Perovskite Solar Cells10.1002/advs.202402796 ↗
15. Study on light absorption of CH3NH3PbI3 perovskite solar cells enhanced by gold nanobipyramids10.1016/j.optlastec.2022.108924 ↗
16. Tiwari, P., Alotaibi, M.F., Al-Hadeethi, Y., Srivastava, V., Arkook, B., Lohia, P., Dwivedi, D.K., Umar, A., and Algadi, H. (2022). Design and Simulation of Efficient SnS-Based Solar Cell Using Spiro-OMeTAD as Hole Transport Layer. Nanomaterials, 12.10.3390/nano12142506 ↗
17. An ultrahigh 84.3% fill factor for efficient CH3NH3PbI3 P-i-N perovskite film solar cell10.1016/j.solener.2022.01.035 ↗
18. Synthesis of strongly interactive FeWO4/BiOCl heterostructures for efficient photoreduction of CO2 and piezo-photodegradation of bisphenol A10.1016/j.cej.2024.153961 ↗
19. Multi-physics device simulations of optimized semi-transparent perovskite solar cells: Influence of material types and layer thicknesses on transmittance and electrical performance10.1016/j.solener.2024.113069 ↗
20. Polaritonic coherent perfect absorption based on self-hybridization of a quasi-bound state in the continuum and exciton10.1364/OE.482464 ↗
21. Simulation study of CsPbIxBr1-x and MAPbI3 heterojunction solar cell using SCAPS-1D10.1016/j.solener.2023.02.059 ↗
22. Investigation of a high-performance solar absorber and thermal emitter based on Ti and InAs10.1039/D4TA05773B ↗
23. Phase-transition-enabled dual-band camouflage in VO2/Ag multilayered nanostructures10.1016/j.physe.2025.116327 ↗
24. Liu, H., Li, J., Yang, H., Wang, J., Li, B., Zhang, H., and Yi, Y. (2025). TiN-Only Metasurface Absorber for Solar Energy Harvesting. Photonics, 12.10.3390/photonics12050443 ↗
25. Ultra-narrow dual-band perfect absorber based on double-slotted silicon nanodisk arrays10.1088/1361-6463/ad4e41 ↗
26. Multi-Functional MoO3 Doping of Carbon-Nanotube Top Electrodes for Highly Transparent and Efficient Semi-Transparent Perovskite Solar Cells10.1002/admi.202101595 ↗
27. Bifacial Perovskite Solar Cells Featuring Semitransparent Electrodes10.1021/acsami.7b06607 ↗
28. Efficient planar perovskite solar cells based on low-cost spin-coated ultrathin Nb2O5 films10.1016/j.solener.2018.03.054 ↗
29. Polarization independent perfect absorption of borophene metamaterials operating in the communication band10.1088/1402-4896/ad5ed3 ↗
30. Ultra wideband absorption absorber based on Dirac semimetallic and graphene metamaterials10.1016/j.physleta.2024.129675 ↗
31. Light-stimulated adaptive artificial synapse based on nanocrystalline metal-oxide film10.29026/oes.2023.230016 ↗
32. Luo, H., Zhu, Y., Song, Q., Yi, Y., Yi, Z., Zeng, Q., and Li, Z. (2024). Ultra-High-Efficiency Solar Capture Device Based on InAs Top Microstructure. Coatings, 14.10.3390/coatings14101297 ↗
33. Dielectric nanocavity-coupled surface lattice resonances for high-efficiency plasmonic sensing10.1088/1361-6463/ac31f2 ↗
34. Embedded solar adaptive optics telescope: Achieving compact integration for high-efficiency solar observations10.29026/oea.2025.250025 ↗
35. A fully symmetric solar absorber for thermophotovoltaic power generation10.1016/j.physleta.2025.130461 ↗
36. Optical trapping of optical nanoparticles: Fundamentals and applications10.29026/oes.2023.230019 ↗
37. Exploring the Way To Approach the Efficiency Limit of Perovskite Solar Cells by Drift-Diffusion Model10.1021/acsphotonics.6b01043 ↗
38. Inverted Hysteresis in CH3NH3PbI3 Solar Cells: Role of Stoichiometry and Band Alignment10.1021/acs.jpclett.7b00571 ↗
39. Enhanced performance of planar perovskite solar cells using TiO2/SnO2 and TiO2/WO3 bilayer structures: Roles of the interfacial layers10.1016/j.solener.2020.08.035 ↗
40. How transport layer properties affect perovskite solar cell performance: Insights from a coupled charge transport/ion migration model10.1039/C8EE01576G ↗
41. Ionic dipolar switching hinders charge collection in perovskite solar cells with normal and inverted hysteresis10.1016/j.solmat.2019.03.003 ↗
42. Electron/hole blocking layers as ionic blocking layers in perovskite solar cells10.1039/D0TC04697C ↗
43. Effect of interfacial recombination, bulk recombination and carrier mobility on the J–V hysteresis behaviors of perovskite solar cells: A drift-diffusion simulation study10.1039/C9CP03548F ↗
44. Advanced optical reinforcement materials based on three-dimensional four-way weaving structure and metasurface technology10.1063/5.0232542 ↗
45. Anapole-assisted ultra-narrow-band lattice resonance in slotted silicon nanodisk arrays10.1088/1361-6463/acd85f ↗
46. Ti1–graphene single-atom material for improved energy level alignment in perovskite solar cells10.1038/s41560-021-00944-0 ↗
47. Enhancing CO2 photoreduction on Au@CdZnS@MnO2 hollow nanospheres via electron configuration modulation10.1016/j.jmst.2024.12.039 ↗
48. Optical force conversion and conveyor belt effect with coupled graphene plasmon waveguide modes10.1364/OE.495863 ↗
49. High sensitivity five band tunable metamaterial absorption device based on block like Dirac semimetals10.1016/j.optcom.2024.130816 ↗
50. Dynamic control of Fano-like interference in the graphene periodic structure10.1088/1361-6463/acbc2f ↗
51. Highly electric field enhancement induced by anapole modes coupling in the hybrid dielectric–metal nanoantenna10.1016/j.optcom.2022.127987 ↗
52. Analytical investigation of unidirectional reflectionless phenomenon near the exceptional points in graphene plasmonic system10.1364/OE.499904 ↗
53. Oxygen-vacancy-tunable mesocrystalline ZnO twin “cakes” heterostructured with CdS and Cu nanoparticles for efficiently photodegrading sulfamethoxazole10.1016/j.jece.2024.112367 ↗
54. Tunable ultra-sensitive four-band terahertz sensors based on Dirac semimetals10.1016/j.photonics.2024.101347 ↗
55. Dynamic optical tuning and sensing in L-shaped dirac semimetal-based terahertz metasurfaces10.1016/j.physleta.2025.130419 ↗
56. Multi-functional metasurface: Ultra-wideband/multi-band absorption switching by adjusting guided-mode resonance and local surface plasmon resonance effects10.1088/1572-9494/ad3b8f ↗
57. Ultra-narrow band perfect absorbance induced by magnetic lattice resonances in dielectric dimer metamaterials10.1016/j.rinp.2022.105730 ↗
58. Metasurfaces for near-eye display applications10.29026/oes.2023.230025 ↗
59. Four peak and high angle tilted insensitive surface plasmon resonance graphene absorber based on circular etching square window10.1088/1361-6463/adc467 ↗
60. Dynamic tunable narrow-band perfect absorber for fiber -optic communication band based on liquid crystal10.1088/1361-6463/acfaab ↗
61. Design of CdZnS/BiOCl heterostructure as a highly-efficient piezo-photocatalyst for removal of antibiotic10.1016/j.jece.2024.114405 ↗
62. Active tunable terahertz bandwidth absorber based on single layer graphene10.1088/1572-9494/acbe2d ↗
63. Extreme enhancement of optical force via the acoustic graphene plasmon mode10.1364/OE.482723 ↗
64. Ultrathin broadband terahertz metamaterial based on single-layer nested patterned graphene10.1016/j.physleta.2025.130262 ↗
65. Dynamic control of polarization conversion based on borophene nanostructures in optical communication bands10.1088/1402-4896/ad6049 ↗
66. Unified model for plasmon-induced transparency with direct and indirect coupling in borophene-integrated metamaterials10.1364/OE.462815 ↗
67. Elevating photocatalytic H2 evolution over ZnIn2S4@Au@Cd0.7Zn0.3S multilayer nanotubes via Au-mediating H–S antibonding-orbital occupancy10.1016/j.cej.2024.156455 ↗
68. Light-matter interactions enhanced by quasi-bound states in the continuum in a graphene-dielectric metasurface10.1364/OE.446072 ↗
69. Tunable plasmonically induced transparency with giant group delay in gain-assisted graphene metamaterials10.1364/OE.455954 ↗
70. Strong evidence for interface-field-induced photocarrier separation in new AgFeO2-BiVO4 heterostructures and their efficient photo-Fenton degradation of ciprofoxacin10.1016/j.apsusc.2024.161275 ↗
71. Non-radiating anapole state in dielectric nanostructures and metamaterials10.1088/1361-6463/adb590 ↗
72. Poly[nitrilo(diphenoxyphosphoranylidyne)] passivated MAPbI3 film achieves 21.36% efficiency and superior multivariate stability for air-processed perovskite solar cells10.1016/j.cej.2024.158411 ↗