Cover Image

Defect-Limited Efficiency of Pnictogen Chalcohalide Solar Cells

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	López, Cibrán, Kavanagh, Seán R., Benítez, Pol, Saucedo, Edgardo, Walsh, Aron, Scanlon, David O., Cazorla, Claudio
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Chalcogen Vacancies Rule Charge Recombination in Pnictogen Chalcohalide Solar-Cell Absorbers
by: López, Cibrán, et al.
Published: (2025)

Machine‐Learning Aided First‐Principles Prediction of Earth‐Abundant Pnictogen Chalcohalide Solid Solutions for Solar‐Cell Devices
by: Cibrán López, et al.
Published: (2024)

Machine Learning Modeling of Temperature-Dependent Optoelectronic Properties of Anharmonic Solid Solutions
by: Benítez, Pol, et al.
Published: (2026)

Crystal Structure Prediction and Phase Stability in Highly Anharmonic Silver-Based Chalcohalide Anti-Perovskites
by: Benítez, Pol, et al.
Published: (2024)

Carrier Localization in Pnictogen-Based Chalcohalides from Defect-Bound Hot Polarons
by: Guo, Xiaoyu, et al.
Published: (2026)

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties with Phonon-Informed Datasets
by: Benítez, Pol, et al.
Published: (2025)

Giant Electron-Phonon Coupling Induced Band-Gap Renormalization in Anharmonic Silver Chalcohalide Antiperovskites
by: Benítez, Pol, et al.
Published: (2024)

Four-electron Negative-U Vacancy Defects in Antimony Selenide
by: Wang, Xinwei, et al.
Published: (2023)

Sulfur Vacancies Limit the Open-circuit Voltage of Sb2S3 Solar Cells
by: Wang, Xinwei, et al.
Published: (2024)

Upper efficiency limit of Sb2Se3 solar cells
by: Wang, Xinwei, et al.
Published: (2024)

Band-Gap Tunability in Anharmonic Perovskite-like Semiconductors Driven by Polar Electron-Phonon Coupling
by: Benítez, Pol, et al.
Published: (2025)

Parallel Exploration of the Optoelectronic Properties of (Sb,Bi)(S,Se)(Br,I) Chalcohalides
by: Nielsen, Rasmus S., et al.
Published: (2025)

Spectroscopic Signatures of Structural Disorder and Electron-Phonon Interactions in Trigonal Selenium Thin Films for Solar Energy Harvesting
by: Nielsen, Rasmus S., et al.
Published: (2025)

Machine Learning-Guided Discovery of Temperature-Induced Solid-Solid Phase Transitions in Inorganic Materials
by: López, Cibrán, et al.
Published: (2025)

Factors Enabling Delocalized Charge-Carriers in Pnictogen-Based Solar Absorbers: In-depth Investigation into CuSbSe2
by: Fu, Yuchen, et al.
Published: (2024)

Identifying Split Vacancy Defects with Machine-Learned Foundation Models and Electrostatics
by: Kavanagh, Seán R.
Published: (2024)

Machine-learning structural reconstructions for accelerated point defect calculations
by: Mosquera-Lois, Irea, et al.
Published: (2024)

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

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

doped: Python toolkit for robust and repeatable charged defect supercell calculations
by: Kavanagh, Seán R., et al.
Published: (2024)

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

Machine Learning a Phosphor's Excitation Band Position
by: Lee, Nakyung, et al.
Published: (2025)

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

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

Design Rules for Optimizing Quaternary Mixed-Metal Chalcohalides
by: Henkel, Pascal, et al.
Published: (2025)

Phase Stability and Transformations in Lead Mixed Halide Perovskites from Machine Learning Force Fields
by: Liang, Xia, et al.
Published: (2025)

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

Molecular ink-based synthesis of Bi(SzSe1-z)(IxBr1-x) solid solutions as tuneable materials for sustainable energy applications
by: Rovira, David, et al.
Published: (2025)

Spectroscopic Signatures of Structural Disorder and Electron‐Phonon Interactions in Trigonal Selenium Thin Films for Solar Energy Harvesting
by: Rasmus S. Nielsen, et al.
Published: (2026)

Molecular origins of colossal barocaloric effects in plastic crystals
by: Sanuy, Ares, et al.
Published: (2025)

Multinary Alloying Suppresses Defect Formation in Emerging Inorganic Solar Cells
by: Shi, Jiangjian, et al.
Published: (2023)

Fermi Level and Light Driven Defect Generation in Silicon Solar Cells
by: Diggs, Andrew, et al.
Published: (2025)

Illuminating the property space in crystal structure prediction using Quality-Diversity algorithms
by: Wolinska, Marta, et al.
Published: (2024)

Accelerating Cathode Material Discovery through Ab Initio Random Structure Searching
by: Zhu, Bonan, et al.
Published: (2021)

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

Triplet Excitons Reconcile Charge Generation and Recombination in Low-Offset Organic Solar Cells: Efficiency Limits from a 5-State Model
by: Langentepe-Kong, Jonathan L., et al.
Published: (2025)

Numerical Modelling of Buffer Layers for Advancing CZTSSe Solar Cell Efficiency
by: Ahamed, Tanzir, et al.
Published: (2025)

The Rise of Chalcohalide Solar Cells: Comprehensive Insights From Materials to Devices
by: Hongrui Zhang, et al.
Published: (2025)

Towards High-Efficiency Solar Cells: Insights into AsNCa 3 Antiperovskite as Active Layer
by: Irfan, M., et al.
Published: (2025)

Stabilization of Metallic, Excitonic Insulator, and Superionic Phases in Helium-Rare Gas Compounds at Sub-Terapascal Pressures
by: Liu, Cong, et al.
Published: (2025)