arXiv 2026-07-17 EN Symbolic Predicate-Guided Language Agents for Inverse Design of Perovskite Oxides Dong Hyeon Mok · Seoin Back · Victor Fung · Guoxiang Hu
arXiv 2026-07-16 EN Hyperfine driven spin relaxation of charge carriers in metal-halide perovskites Guillaume Lague · Frédérick Bernardot · Mauricio Calvo · Olfa Selmi +5
arXiv 2026-07-16 EN SevenNet-Polar for MultiTask Prediction of Energy, Forces, Stress, and Born Effective Charges: Development and Application to ZrO₂, Li₃PO₄, and Perovskites Anh Khoa Augustin Lu · Shungo Arai · Yutack Park · Seungwu Han +2
arXiv 2026-07-16 EN Vortex-Beam Transient Absorption Microspectroscopy Resolves Ultrafast Free-Exciton and Polaron Diffusion in 2D Perovskites Ju-Young Kim · Anirban Mondal · Gi Rim Han · Kwang Jin Lee +3
arXiv 2026-07-16 EN Boosting Perovskite Light-Emitting Diodes Performance by Introducing High Work-function Metal Transition Layer Laixiang Qin
arXiv 2026-07-15 EN The WEST code for large-scale excited-state materials simulations Victor Wen-zhe Yu · Siyuan Chen · Yu Jin · Vrindaa Somjit +4
arXiv 2026-07-15 EN Role of small-radius and high-electronegativity A-Site dopants in enhancing proton transport and stability of perovskite electrolytes Hang Ma · Ying Liang · Tianxing Ma
arXiv 2026-07-14 EN Synthesis of the Elusive Bulk Iodide Double-Perovskite Semiconductor, Cs2AgBiI6: Microcrystals and Photoconductive Films Faris Horani · Nicolas Nguyen · Carmelita Ro-Mendez · Nicholas J. Adams +1
arXiv 2026-07-14 EN Single-orbital tight-binding model for chiral one-dimensional hybrid organic-inorganic lead halide perovskites Yuya Ominato · Tetsuya Furukawa · Ayumi Ishii · Tetsuaki Itou
arXiv 2026-07-13 EN Direct writing of individual quantum dots Weikun Zhu · Natalie Ngoh · Shelly Ben-David · Maxwell Conte +8
arXiv 2026-07-13 EN Telecom-band Chiral Light Detection through Hidden Giant Third-Order Nonlinear Circular Dichroism in Two-dimensional Halide Perovskite Yuki Takahashi · Daichi Okada · Koshi Oi · Kazuki Mitamura +4
arXiv 2026-07-11 EN Oxygen-nonstoichiometry-driven phase transition in Sr₁₋ₓNdₓCoO₃₋δ (x = 0.1, 0.2, 0.3) perovskites Nina Tereshko · Roman Lanovsky · Olivier Toulemonde · Maxim Bushinsky +4
arXiv 2026-07-10 EN Improved Heat Dissipation in CsPbBr₃-hBN Heterostructures Liudmila Starodubtceva · Ahmed Kadid · Naho Kurahashi · Cedric Kreusel +7
arXiv 2026-07-09 EN Bond, orbital and spin order in d4/d6/d7 perovskite oxides: successes and limitations of foundation interatomic potentials Swagata Acharya · Dimitar Pashov · Mark van Schilfgaarde · Alin M. Elena
arXiv 2026-07-08 EN Raman spectroscopic signature of Kitaev magnetism and complex spin-lattice coupling in S = 1/2 antiferromagnet SrLaCoNbO₆ double perovskite Ajay Kumar · Clemens Ulrich · Rajendra S. Dhaka
arXiv 2026-07-08 EN Human and LLM Collaboration for Accelerated Materials Synthesis and Discovery Gregory Bassen · Wyatt Bunstine · Sarah Okandey · Sarah Cheung +6
arXiv 2026-07-08 EN Understanding surface potential dynamics of passivated perovskites via Kelvin Probe Force Microscopy Rehmat Sood-Goodwin · Xue-Li Cao · Benjamin C. Kinvig · Robert D. J. Oliver +3
arXiv 2026-07-06 EN Data-driven atomistic modelling of hybrid halide perovskite passivation Laura-Bianca Paşca · Henry J. Snaith · Volker L. Deringer
arXiv 2026-07-06 EN Disentangling Electronic and Lattice Contributions to Transient Absorption in Metal Halide Perovskites: A First-Principles Study of CH3NH3PbBr3 Lu Qiao · Ronaldo Rodrigues Pela · Claudia Draxl
arXiv 2026-07-04 EN Atomistic study of finite temperature properties in ferroelectric BiAlO₃ Indranil Mal · Chandan Kumar Vishwakarma · Mohd Zeeshan · I. Ponomareva +1
