arXiv 2026-08-11 EN Analysis of degradation in perovskite solar cells through physics-based machine learning Kjeld O. Jensen · Gemma Giliberti · Aldo Di Carlo · Will Clarke +4
arXiv 2026-08-11 EN Predicting Space Groups of Double Perovskites by LLM with Dynamic Few-Shot Learning Jongwon Park · Inhyo Lee · Junhyeong Lee · Seunghwa Ryu
arXiv 2026-08-10 EN Prediction of BaBiO₃-like superconducting perovskites in K-doped SrAsO₃ Zhihong Yuan · Rui Liu · Pengyu Zheng · Zhiping Yin
arXiv 2026-08-08 EN Universality of PVDF-Li+ Ion Interface Chemistry in Lead-free Perovskite Energy Storage Devices Arun Kumar · Ayush Kumar Pandey · Ankur Yadav · Vishnu Saraswat +3
arXiv 2026-08-07 EN Roadmap on UV-C photodetectors: materials, applications and industry perspectives Fabien Massabuau · Drew Riley · Paul Meredith · Tilman Weiss +43
arXiv 2026-08-07 EN Autonomous Optimization of Complex Oxides for Thermochemical Fuel Production Shuiping Gong · Mingcheng Li · Han Hao · Zhenhao Zhou +12
arXiv 2026-08-07 EN Optical Anisotropy and Phase Matching in Non-Centrosymmetric Perovskite Oxides from DFT+U and DFT+U+V Functionals Mohamed S. M. M. Ali · Ismaila Dabo
arXiv 2026-08-06 EN Tuning the Optoelectronics of Mixed-Semiconductors through the interplay of Quantum confinement and Stoichiometry Engineering Kanha Ram Khator · Anupam Manna · Amlandeep Nayak · Pravat Nayek +2
arXiv 2026-08-05 EN An Exchange-Correlation Functional for Fast and Accurate Modeling of Ferroelectric Perovskites Owain T. Beynon · Chiara Gattinoni
arXiv 2026-08-05 EN Performance Analysis of Double Perovskite-Based Solar Cells Using SCAPS-1D Simulation: A brief review H. Laltlanmawii · Lalrem Kima · Mahabur Rahman · Md. Ferdous Rahman +6
arXiv 2026-08-05 EN Quantum optoelectronics in semiconductor solar cell materials and devices Xi Liu · Wenxi Fang
arXiv 2026-08-04 EN Microscopic Origin of Random Singlet Behavior in B-site Disordered Spin-1/2 Perovskite BaCu₁/3Nb₂/3O₃ Revealed by EXAFS and Thermodynamics Sagar Mahapatra · Francesco De Angelis · Martin Etter · Edmund Welter +4
arXiv 2026-08-03 EN Polaron-mediated metal-insulator transition and proton conduction in hydrogenated nickelate perovskites Hang Ma · Tianxing Ma · Ying Liang
arXiv 2026-08-03 EN Transient Ferromagnetism in Ultrafast Phase Transitions in Perovskites under XUV Irradiation: A Comparative Study of SrTiO3 and KTaO3 Aldo Artimez Pena · Nikita Medvedev
arXiv 2026-08-02 EN Performance of Tkatchenko-Scheffler Dispersion Method with Updated van der Waals Radii: Importance for Alkali-Containing Systems Aaron M. Schankler · Ruyi Song · Sampreeti Bhattacharya · Ela Lucas +4
arXiv 2026-08-02 EN Spin-orbit-entangled frustrated magnetism in fcc Ba₂(Yb,Nd)NbO₆ double perovskites S. M. Hossain · Sk. Soyeb Ali · S. Mohanty · R. Kolay +6
arXiv 2026-08-01 EN A Large-scale Parallel Implementation of Quasi-Four-Component Relativistic Density Functional Theory with Numeric Atom-centered Orbitals Wentao Zhang · Rundong Zhao · Volker Blum
arXiv 2026-07-31 EN Ordered-to-disordered transfer learning with graph neural networks for formation-energy and HOMO-LUMO gap prediction in high-entropy perovskite oxides Panupol Untarabut · Narjes Jomaa · Sylvian Cadars · Olivier Masson +3
arXiv 2026-07-31 EN Resolving competing distortions in Ca0.4Sr0.6TiO3 using complementary electron and X-ray techniques Robin Sjökvist · Catriona A. Crawford · Richard Beanland · Mark S. Senn
arXiv 2026-07-31 EN Mechanism-Dependent Descriptors Enable Predictive Design of Oxygen Capacity in Perovskite Oxides Shuiping Gong · Yi Li · Jie Su · Zhenhao Zhou +8
