Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors
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Machine scores (provisional)
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
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- Teacher spread
- 0.193 · how far apart the two teachers sit on this one work
- Validation status
score_only:v0-immature-baseline· verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it
Abstract
Layered halide hybrid organic–inorganic perovskites (HOP) have been the subject of intense investigation before the rise of three-dimensional (3D) HOP and their impressive performance in solar cells. Recently, layered HOP have also been proposed as attractive alternatives for photostable solar cells and revisited for light-emitting devices. In this review, we combine classical solid-state physics concepts with simulation tools based on density functional theory to overview the main features of the optoelectronic properties of layered HOP. A detailed comparison between layered and 3D HOP is performed to highlight differences and similarities. In the same way as the cubic phase was established for 3D HOP, here we introduce the tetragonal phase with D 4 h symmetry as the reference phase for 2D monolayered HOP. It allows for detailed analysis of the spin–orbit coupling effects and structural transitions with corresponding electronic band folding. We further investigate the effects of octahedral tilting on the band gap, loss of inversion symmetry and possible Rashba effect, quantum confinement, and dielectric confinement related to the organic barrier, up to excitonic properties. Altogether, this paper aims to provide an interpretive and predictive framework for 3D and 2D layered HOP optoelectronic properties.
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The record
- Venue
- ACS Nano
- Topic
- Perovskite Materials and Applications
- Field
- Engineering
- Canadian institutions
- —
- Funders
- Institute of Circulatory and Respiratory HealthLos Alamos National LaboratoryHorizon 2020Grand Équipement National De Calcul IntensifLaboratory Directed Research and DevelopmentAgence Nationale de la RechercheNederlandse Organisatie voor Wetenschappelijk OnderzoekEuropean Research CouncilStichting voor Fundamenteel Onderzoek der MaterieU.S. Department of EnergyEuropean CommissionCenter for Integrated Nanotechnologies
- Keywords
- Tetragonal crystal systemMaterials scienceHalideSemiconductorBand gapDensity functional theoryDielectricPoint reflectionQuantum dotPhase transitionCondensed matter physicsPerovskite (structure)OptoelectronicsNanotechnologyPhase (matter)PhysicsChemistryCrystallographyQuantum mechanics
- Has abstract in OpenAlex
- yes