Halide Perovskite Photovoltaics
Inorganic ABX3 halide perovskites such as CsPbI3 and CsSnI3, whose defect-tolerant band structures took photovoltaic efficiencies past 26% in a decade. Phase stability and lead-free substitution dominate current research.
Class Statistics
What are Halide Perovskite Photovoltaics?
Halide perovskites represent a transformative class of semiconducting materials defined by their characteristic ABX3 crystal structure, where A is typically a monovalent cation, B is a divalent metal cation, and X is a halide anion. While organic-inorganic hybrid perovskites initially dominated the field, purely inorganic variants like CsPbI3 and CsSnI3 have garnered significant attention due to their superior thermal stability and robust optoelectronic properties. These materials are celebrated for their exceptional defect tolerance, which allows them to maintain high charge-carrier lifetimes and diffusion lengths despite the presence of structural imperfections. This unique combination of properties enables efficient light absorption and charge transport, leading to a meteoric rise in power conversion efficiencies that rival traditional silicon-based technologies. The rapid development of these materials has been driven by their versatile solution-processability, which offers the potential for low-cost, large-scale manufacturing through techniques like spin-coating or roll-to-roll printing. However, the field faces ongoing challenges, particularly regarding the long-term environmental stability of the perovskite lattice and the toxicity concerns associated with lead-based compositions. Current research is heavily focused on developing lead-free alternatives, such as tin-based perovskites, and engineering compositional strategies to stabilize the photoactive phases against moisture and heat. As a cornerstone of next-generation photovoltaics, halide perovskites are pivotal to the future of sustainable energy, offering a pathway toward lightweight, flexible, and high-efficiency solar cells that can be integrated into diverse applications ranging from building-integrated photovoltaics to portable electronics.
Top Halide Perovskite Photovoltaics
Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.
| Formula | Band Gap | Best EAH (eV/atom) | Stability | DFT Sources | Recipes |
|---|---|---|---|---|---|
| CsPbBr3 | 1.78–2.88 eV | 0.0000 | On hull (stable) | 1 | 2 |
| CsF3Sn | 3.10–4.17 eV | 0.0000 | On hull (stable) | 2 | 0 |
| CdK2Pb | 0.16 eV | 0.0000 | On hull (stable) | 2 | 0 |
| BiCaK | 0.83 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Cl12Cs4Sn4 | 0.98–2.92 eV | 0.0000 | On hull (stable) | 3 | 0 |
| CsSnI3 | 0.45–2.06 eV | 0.0000 | On hull (stable) | 2 | 0 |
| RbPbF3 | 3.04–4.58 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Cs4I12Sn4 | 0.45–2.06 eV | 0.0000 | On hull (stable) | 2 | 0 |
| CsI3Pb | 1.48–2.52 eV | 0.0000 | On hull (stable) | 1 | 0 |
| F3RbSn | 3.41–4.02 eV | 0.0000 | On hull (stable) | 1 | 0 |
| KPb2Cl5 | 3.38–3.66 eV | 0.0000 | On hull (stable) | 1 | 1 |
| AgAsK2 | 1.07 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Ge8K8Se20 | 1.95 eV | 0.0000 | On hull (stable) | 2 | 0 |
| GeRbSe4Sm | 1.60–1.75 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Rb3BiF6 | 4.54 eV | 0.0190 | Near hull (likely stable) | 2 | 0 |
| Bi7Cs3Se12 | 0.61 eV | 0.0036 | Near hull (likely stable) | 1 | 0 |
| RbPbCl3 | 2.19–3.26 eV | 0.0000 | On hull (stable) | 2 | 0 |
| K2SnBr6 | 1.18–1.61 eV | 0.0000 | On hull (stable) | 2 | 0 |
| KBiF6 | 2.63–2.74 eV | 0.0000 | On hull (stable) | 2 | 0 |
| K2AgF4 | 0.61 eV | 0.0000 | On hull (stable) | 2 | 0 |
| K3SnSb3 | 0.02–0.40 eV | 0.0170 | Near hull (likely stable) | 2 | 0 |
| Ag2F8K4 | 0.61 eV | 0.0000 | On hull (stable) | 2 | 0 |
| KBi2F7 | 3.58–4.68 eV | 0.0692 | Metastable | 2 | 0 |
| KBiF4 | 3.23–4.19 eV | 0.0413 | Metastable | 2 | 0 |
| RbBiF4 | 2.88–3.47 eV | 0.0558 | Metastable | 2 | 0 |
| Ag1As1K2 | 1.07 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Cd1K2Pb1 | 0.16 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Cl12K4Sn2 | 2.46–2.68 eV | 0.0000 | On hull (stable) | 2 | 0 |
| KSnSe2 | 1.17 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Bi2F12K2 | 2.63–2.74 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Br3CsSn | 0.60–0.97 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Cl12Cs8Pb2 | 4.29 eV | 0.0000 | On hull (stable) | 2 | 0 |
| K4Sn2Te10 | 0.54 eV | 0.0000 | On hull (stable) | 2 | 0 |
| KSnN | 1.03 eV | 0.0717 | Metastable | 2 | 0 |
| RbBiF3 | 1.36 eV | 0.1544 | Above hull | 2 | 0 |
| Ag2K4Se8V2 | 1.00 eV | 0.0000 | On hull (stable) | 2 | 0 |
| AgK2P | 1.23 eV | 0.0000 | On hull (stable) | 2 | 0 |
| As4Ge2K4 | 0.84 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Bi4Cs4Pd2 | 0.45 eV | 0.0000 | On hull (stable) | 2 | 0 |
| BiKSe2 | 0.81 eV | 0.0543 | Metastable | 2 | 0 |
| Cs2SnI6 | 0.29 eV | 0.0000 | On hull (stable) | 2 | 0 |
| F12Ge2Rb4 | 5.81–5.98 eV | 0.0000 | On hull (stable) | 2 | 0 |
| I12Rb4Sn4 | 2.01 eV | 0.0000 | On hull (stable) | 2 | 0 |
| K2SnSe3 | 1.65 eV | 0.0000 | On hull (stable) | 2 | 0 |
| K4Sn3Se8 | 1.50 eV | 0.0000 | On hull (stable) | 2 | 0 |
| K8SnSb4 | 0.32 eV | 0.0000 | On hull (stable) | 2 | 0 |
| KAgF4 | 1.46 eV | 0.0000 | On hull (stable) | 2 | 0 |
| KMgBi | 0.39 eV | 0.0000 | On hull (stable) | 2 | 0 |
| KSn2Br5 | 2.36 eV | 0.0197 | Near hull (likely stable) | 2 | 0 |
| KSnSb | 0.26 eV | 0.0000 | On hull (stable) | 2 | 0 |
Frequently Asked Questions
How many halide perovskite photovoltaics are in the database?
What is the most data-rich halide perovskite photovoltaic?
Which halide perovskite photovoltaic has the widest band gap?
What makes the ABX3 structure so effective for solar energy?
Why is there a push to develop lead-free halide perovskites?
How do these materials compare to traditional silicon solar cells?
What is the primary challenge for the commercialization of perovskite photovoltaics?
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