10 papers
Carrier Localization in Pnictogen-Based Chalcohalides from Defect-Bound Hot Polarons
Xiaoyu Guo, Junzhi Ye, Cibrán Lopez Alvarez +19
Pnictogen-based solar absorbers have gained prominence as promising nontoxic and stable alternatives to lead-halide perovskites (LHPs), but are severely limited by carrier localiza…
Machine Learning Modeling of Temperature-Dependent Optoelectronic Properties of Anharmonic Solid Solutions
Pol BenÃtez, Cibrán López, Edgardo Saucedo +1
Leveraging strong optoelectronic responses to external stimuli, such as temperature and electric fields, is central to the development of advanced photonic technologies, including…
Defect-Limited Efficiency of Pnictogen Chalcohalide Solar Cells
Cibrán López, Seán R. Kavanagh, Pol BenÃtez +4
Pnictogen chalcohalides (MChX) have recently emerged as promising nontoxic and environmentally friendly photovoltaic absorbers, combining strong light absorption coefficients with…
Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties with Phonon-Informed Datasets
Pol BenÃtez, Cibrán López, Edgardo Saucedo +2
Machine learning (ML) methods have become powerful tools for predicting material properties with near first-principles accuracy and vastly reduced computational cost. However, the…
Lessons from Chalcopyrites for Scaling Thin Film Perovskite Photovoltaic Technology
Mirjana Dimitrievska, Edgardo Saucedo, Stefaan De Wolf +2
The growing demand for photovoltaic (PV) technologies that are lightweight, flexible, and seamlessly integrated into diverse applications has propelled interest in thin-film solar…
Parallel Exploration of the Optoelectronic Properties of (Sb,Bi)(S,Se)(Br,I) Chalcohalides
Rasmus S. Nielsen, Ãngel Labordet Ãlvarez, Axel G. Medaille +8
Chalcohalides are an emerging family of semiconductors with irresistible material properties, shaped by the intricate interplay between their unique structural chemistry and vibrat…