Layered ordering of Br and I anions in CsPbBrxI3-x perovskites induces strongly anisotropic defect diffusion, with ready migration along layers and strongly suppressed diffusion across layers due to strain, octahedral tilting, and local bonding preferences.
Die gesetze der krystallochemie
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Quantum-chemical bonding descriptors improve machine learning predictions of materials properties and enable symbolic regression to recover intuitive expressions for force constants and thermal conductivity.
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Anisotropic Defect Diffusion in Layered CsPbBr$_\mathrm{x}$I$_\mathrm{3-x}$ Perovskites
Layered ordering of Br and I anions in CsPbBrxI3-x perovskites induces strongly anisotropic defect diffusion, with ready migration along layers and strongly suppressed diffusion across layers due to strain, octahedral tilting, and local bonding preferences.
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A critical assessment of bonding descriptors for predicting materials properties
Quantum-chemical bonding descriptors improve machine learning predictions of materials properties and enable symbolic regression to recover intuitive expressions for force constants and thermal conductivity.