Advanced Optical Materials · 2019 · 52 citations · 56 references
Natural SciencesMaterials EngineeringMaterials ScienceElectronic MaterialsOptical MaterialsSemiconductor MaterialsLight-emitting DiodesLuminescent MaterialsOptical Properties Of SolidsOptoelectronic MaterialsPerovskite MaterialsThin Film Optical PropertiesBlue Light EmissionBlue Light-emitting DiodesCation StabilizationElectron-phonon ScatteringHalide PerovskitesLight-emitting DevicesPerovskite Light-emitting MaterialsPerovskite Luminescent Materials
Abstract Ruddlesden–Popper halide perovskite (RPP) materials are of significant interest for light‐emitting devices since their emission wavelength can be controlled by tuning the number of layers n , resulting in improved spectral stability compared to mixed halide devices. However, RPP films typically contain phases with different n , and the low n phases tend to be unstable upon exposure to humidity, irradiation, and/or elevated temperature which hinders the achievement of pure blue emission from n = 2 films. In this work, two spacer cations are used to form an RPP film with mixed cation bilayer and high n = 2 phase purity, improved stability, and brighter light emission compared to a single spacer cation RPP. The stabilization of n = 2 phase is attributed to favorable formation energy, reduced strain, and reduced electron–phonon coupling compared to the RPP films with only one type of spacer cation. Using this approach, pure blue light‐emitting diodes (LEDs) with Commission Internationale de l'éclairage (CIE) coordinates of (0.156, 0.088) and excellent spectral stability are achieved.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Canonical sampling through velocity rescaling
Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text
Natural Sciences, Chemistry, Physics +17