Metal halide perovskites for energy applications: recent advances, challenges, and future perspectives

Abstract

Metal halide perovskites (MHPs) have rapidly emerged as a leading class of materials for a wide range of energy applications, including photovoltaics, light-emitting devices, and energy storage systems. Their exceptional optoelectronic properties such as high absorption coefficients, long carrier diffusion lengths, and tunable bandgaps combined with their low-cost, solution-processable synthesis methods, position MHPs at the forefront of next-generation sustainable energy technologies. Despite these advantages, critical challenges remain, particularly concerning their long-term operational stability, environmental toxicity (especially due to the lead content), and scalability for industrial production. This review comprehensively examines recent progress in the synthesis and characterization of MHPs, focusing on key breakthroughs in materials design, processing techniques, and analytical tools that deepen our understanding of their structure property performance relationships. We also discuss the primary bottlenecks limiting commercial deployment and highlight emerging strategies to improve device durability, reduce ecological impact, and enhance compatibility with scalable manufacturing processes. Finally, we offer a forward-looking perspective on promising research directions aimed at expanding the applicability of MHPs beyond photovoltaics, including their potential roles in thermoelectric conversion, solid-state batteries, and advanced optoelectronic sensors, thereby underscoring their transformative potential in the future of clean energy technologies.

Fig. 1. Advancements in power conversion efficiency of metal halide perovskite solar cells (2015–2025).

Fig. 2. Schematic overview of metal halide perovskites: applications, properties, challenges, and future directions.

Fig. 3. Different techniques for synthesizing perovskite and nanocomposite structures: (a) spin coating, (b) mechanochemical synthesis, (c) spray pyrolysis, (d) flame spray pyrolysis, (e) ball milling, (f) sol–gel method, (g) chemical vapor deposition (CVD), (h) antisolvent approach, and (i) ligand-assisted reprecipitation (LARP) with hot injection.

Fig. 4. Common synthesis routes and characterization techniques for metal halide perovskites.

Fig. 5. (a) Crystal structure (b) octahedra of ZnCl₆/Br₆ of RbZnX₃ (X = Cl, Br) perovskites.

Fig. 6. (a) Graphical depiction of the optimized volume–energy relationship, and (b) DFT-simulated XRD patterns of Cs₂MGaBr₆ (M = Li, Na) double halide perovskites.

Fig. 7. (a) The photodecomposition and thermal degradation of MAPbI₃ lead to irreversible decomposition into organic volatile gas species (CH₃I + NH₃), reversible decomposition (CH₃NH₂ + HI), and the reversible formation of I₂ and non-volatile Pb₀ when exposed to light or mild heat conditions. (b) Under light or X-ray exposure, MAPbI₃ decomposes, forming Pb₀ and I₂, which are associated with iodine vacancies. (c) A schematic of the photo-oxidative degradation process of MAPbI₃. (d) An open-circuit voltage battery cell where MAPbI₃ serves as the solid electrolyte. (e) A DC galvanostatic polarization experiment conducted at 40 °C in an Ar atmosphere to distinguish between ionic (σ_ion) and electronic (σ_eon) contributions. (f) The change in the chemical potential diagram of iodine under light exposure, deviating from its equilibrium value MI refers to metal iodide and “outside” refers to zero iodine concentration.

Fig. 8. Partial density of states (PDOS) and frontier molecular orbitals for Cs₁₃Sb₆X₃₀ clusters, where X = Cl, Br, and I. Panels (a), (b), and (c) correspond to the halides Cl, Br, and I, respectively. The total and atomic orbital contributions (Sb 5p, Sb 5s, and halogen p orbitals) to the density of states are shown on the left. The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) distributions are visualized on the right for each composition, with the energy band gaps indicated between the HOMO and LUMO levels.

Fig. 9. (a) Encapsulated perovskite solar modules were delaminated and MHP was dissolved by DMF. (b) Lead ions in DMF were removed by carboxylic acid cation-exchange resin. (c) The adsorbed lead ions on resin were released to aqueous solution by resin-regeneration process via HNO₃. (d) Precipitation of PbI₂ by pouring NaI into Pb(NO₃)₂ containing solution. (e) Module refabrication based on recycled materials.

Fig. 10. Outdoor field stability test results. Pictures of modules installed outdoor (a). Outdoor stability test results at the perovskite PV Accelerator for Commercializing Technologies (PACT) (b). SNL, Sandia National Laboratories; NREL, National Renewable Energy Laboratory. Light intensity (c) and resulting device performance of one of the modules at PACT (d).

Fig. 11. The best algorithm fitting graph for the four properties on the test set. (a) XGBoost for formation energy. (b) MLP for volume. (c) XGBoost for total magnetization. (d) XGBoost for energy per atom.

Fig. 12. (a) Atomic and polyhedral structures of 2D and 3D cubic Na₂AuInZ₆ perovskites, where Z = Cl, Br, I. Sodium (Na), gold (Au), indium (In), and halogen atoms are represented by orange, yellow, violet, and cyan spheres, respectively. The polyhedral network illustrates the octahedral coordination around the metal cations. (b–d) Energy–volume optimization curves for (b) Na₂AuInCl₆, (c) Na₂AuInBr₆, and (d) Na₂AuInI₆.

Fig. 13. Variation of electrical conductivity and see beck coefficient with temperature for A₂GeSnF₆(A = K, Rb, Cs).

Fig. 14. Schematic of the overall concept of light-induced energy materials and devices.

Fig. 15. (a) Wavelength and interaction time features of lasers and flash lamps; (b) light wavelength influencing the optical penetration depth for light-absorbing materials; (c) interaction time that determines the heat diffusion length; (d) fluence and interaction time regime related to LMI events, (e) repetition rate and spatial overlap, contributing to (f) heat accumulation/dissipation effects; (g) environmental conditions that trigger physicochemical reactions.

Fig. 16. The crystal structure and electronic charge density in (100) plane of the unit cells for metal halide perovskites CsNBr₃ (N²⁺ = Ge, Sn, Pb), in cubic symmetry (space group Pm3̄m; IT No. 221) optimized using GGA approaches. Color legend: cesium (green), germanium (dark Blue), tin (sky blue) and lead (steel blue), and bromine (red).

Fig. 17. (A) Gas sensor response to ethanol depending on the layer thickness, (B) screening for different organic solvents, and (C) gas sensor responses from Groeneveld and Loi16 of 1-propanol detection.