Imagen de Portada

Phase Stability and Transformations in Lead Mixed Halide Perovskites from Machine Learning Force Fields

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Liang, Xia, Klarbring, Johan, Walsh, Aron
Formato:	Preprint
Publicado:	2025
Materias:	Materials Science
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Na Vacancy Driven Phase Transformation and Fast Ion Conduction in W-doped Na$_3$SbS$_4$ from Machine Learning Force Fields
por: Klarbring, Johan, et al.
Publicado: (2024)

Kinetically Arrested Twin-Domain State in Formamidinium Lead Iodide
por: Liang, Xia, et al.
Publicado: (2026)

Point defect formation at finite temperatures with machine learning force fields
por: Mosquera-Lois, Irea, et al.
Publicado: (2024)

Dynamic Nanodomains Dictate Macroscopic Properties in Lead Halide Perovskites
por: Dubajic, Milos, et al.
Publicado: (2024)

Tracing Ion Migration in Halide Perovskites with Machine Learned Force Fields
por: Tyagi, Viren, et al.
Publicado: (2024)

Imperfections are not 0 K: free energy of point defects in crystals
por: Mosquera-Lois, Irea, et al.
Publicado: (2023)

Machine-Learning Force Fields Reveal Shallow Electronic States on Dynamic Halide Perovskite Surfaces
por: Delgado, Frederico P., et al.
Publicado: (2025)

Prolonged Phase Segregation of Mixed-Halide Perovskite Nanocrystals in the Dark
por: Ma, Xueying, et al.
Publicado: (2024)

Exploring Lead Free Mixed Halide Double Perovskites Solar Cell
por: Rahman, Md Yekra, et al.
Publicado: (2024)

Thermodynamic Stability and Hydrogen Bonds in Mixed Halide Perovskites
por: Camayo-Gutierrez, Liz, et al.
Publicado: (2026)

Machine Learning-Enhanced Design of Lead-Free Halide Perovskite Materials Using Density Functional Theory
por: Kumar, Upendra, et al.
Publicado: (2024)

Machine Learning Reveals Composition Dependent Thermal Stability in Halide Perovskites
por: Hering, Abigail R., et al.
Publicado: (2025)

Multi-fidelity Machine Learning Interatomic Potentials for Charged Point Defects
por: Wang, Xinwei, et al.
Publicado: (2026)

General Phase Segregation and Phase Pinning Effects in Ln-doped Lead Halide Perovskite with Dual-wavelength Lasing
por: He, Junyu, et al.
Publicado: (2025)

Lead-Free Europium Halide Perovskite Nanoplatelets
por: Fernández, Sebastian, et al.
Publicado: (2025)

Finite-Temperature Ferroelectric Phase Transitions from Machine-Learned Force Fields
por: Eggestad, Kristoffer, et al.
Publicado: (2025)

Giant Spin Splitting and its Origin in Methylhydrazinium Lead Halide Perovskites
por: Maity, Nikhilesh, et al.
Publicado: (2024)

Force-Matching Based Polarizable and Non-Polarizable Force Fields for Perovskite and Non-Perovskite Phases of CsPbI$_3$
por: Vona, C., et al.
Publicado: (2024)

Pressure-Driven Phase Evolution and Optoelectronic Properties of Lead-free Halide Perovskite Rb$_2$TeBr$_6$
por: Mukherjee, Suvashree, et al.
Publicado: (2025)

Anisotropic electron-phonon interactions in 2D lead-halide perovskites
por: Geuchies, Jaco J., et al.
Publicado: (2024)

Platonic representation of foundation machine learning interatomic potentials
por: Li, Zhenzhu, et al.
Publicado: (2025)

Phase Segregation Dynamics in Mixed-Halide Perovskites Revealed by Plunge-Freeze Cryogenic Electron Microscopy
por: Fan, Qingyuan, et al.
Publicado: (2024)

Leveraging Domain Adaptation for Accurate Machine Learning Predictions of New Halide Perovskites
por: Gupta, Dipannoy Das, et al.
Publicado: (2024)

Exciton-Selective Phonon Coupling in a Lead Halide Perovskite
por: L., Pradeepa H., et al.
Publicado: (2026)

Role of Inorganic Cations in the Excitonic Properties of Lead Halide Perovskites
por: Wierzbowska, Małgorzata, et al.
Publicado: (2024)

Quantitative Analysis of Light Induced Ion Segregation in Mixed-Halide Perovskites
por: Machovec, Petr, et al.
Publicado: (2026)

Elucidating the High-Pressure Phases of MAPbBr3 Using a Machine Learning Force Field
por: Valappil, Rashid Rafeek V, et al.
Publicado: (2025)

Machine Learning Force Field for Thermal Oxidation of Silicon
por: Cvitkovich, Lukas, et al.
Publicado: (2024)

Structure Prediction of Ionic Epitaxial Interfaces with Ogre Demonstrated for Colloidal Heterostructures of Lead Halide Perovskites
por: Toso, Stefano, et al.
Publicado: (2025)

Observation of Extraordinary Vibration Scatterings Induced by Strong Anharmonicity in Lead-Free Halide Double Perovskites
por: Wang, Guang, et al.
Publicado: (2024)

Dynamic Vacancy Levels in CsPbCl3 Obey Equilibrium Defect Thermodynamics
por: Mosquera-Lois, Irea, et al.
Publicado: (2025)

Heteroepitaxy of Large-Area, Monocrystalline Lead Halide Perovskite Films on Gallium Arsenide
por: Kong, Deying, et al.
Publicado: (2022)

Spin Coherence and Spin Relaxation in Hybrid Organic-Inorganic Lead and Mixed Lead-Tin Perovskites
por: Zhang, Haochen, et al.
Publicado: (2023)

Ultrafast Exciton-Polariton Transport and Relaxation in Halide Perovskite
por: Xia, Yuexing, et al.
Publicado: (2025)

Permanent Lattice Compression of Lead-Halide Perovskite for Persistently Enhanced Optoelectronic Properties
por: Boopathi, Karunakara Moorthy, et al.
Publicado: (2026)

The Potential of Geminate Pairs in Lead Halide Perovskite revealed via Time-resolved Photoluminescence
por: Hempel, Hannes, et al.
Publicado: (2024)

Crystalyse: a multi-tool agent for materials design
por: Nduma, Ryan, et al.
Publicado: (2025)

Unraveling UV Stability in Metal Halide Perovskites: From Degradation Mechanisms to Molecular Passivation
por: Wen, Xin, et al.
Publicado: (2025)

Microscopic Intricacies of Self-Healing in Halide Perovskite-Charge Transport Layer Heterostructures
por: Behera, Tejmani, et al.
Publicado: (2025)

Core@Shell AgBr@CsPbBr3 Nanocrystals as Precursors to Hollow Lead Halide Perovskite Nanocubes
por: Li, Zhanzhao, et al.
Publicado: (2025)