Ferroelectric domains in methylammonium lead iodide perovskite thin-filmsWe explore the ferroic properties of methylammonium lead iodide perovskite solar cells by Piezoresponse Force Microscopy (PFM). In vertical and horizontal PFM imaging, we find domains of alternating…Holger Röhm, Tobias Leonhard, Michael J. Hoffmann et al.·May 8, 2026SaveLearn
Harnessing Structural Disorder: Unraveling Hydrogen Evolution in Monolayer Amorphous Carbon via First-Principles Simulations and Machine-Learned PotentialsDisorder and defective coordination in the catalytic plane are crucial for enhancing the Hydrogen Evolution Reaction (HER) on two-dimensional catalysts. Amorphous materials are disordered, making…Sreehari M S, Ashutosh Krishna Amaram, Raghavan Ranganathan·May 8, 2026SaveLearn
Spin-lattice coupling enables adaptive adsorption in magnetically-driven electrocatalystsA major challenge in electrochemistry is to decouple the reactive intermediates of a catalytic cycle to optimise their energies independently. During the oxygen evolution reaction (OER), such energy…Arnold Gaje, Lulu Li, Felipe A. Garcés-Pineda et al.·May 8, 2026SaveLearn
Revisiting Ferroelectricity Beyond Polar Space GroupsFerroelectricity, a hallmark of spontaneous inversion-symmetry breaking, has been a central concept in condensed matter physics and functional materials research, yet recent discoveries are revealing…Yudi Yang, Changming Ke, Shi Liu·May 8, 2026SaveLearn
Water adsorption on a model silicate surface: wollastonite (100)Water adsorption on silicate surfaces is a critical yet poorly understood process relevant to, e.g., mineral weathering and cement hydration. This study investigates the structure of water overlayers…Luca Lezuo, Andrea Conti, Alexander Hoheneder et al.·May 8, 2026SaveLearn
Physics-informed operator learning for transferable energy-dissipative microstructure dynamicsPhase-field simulations provide mechanistic descriptions of microstructure evolution, but repeated high-fidelity integration over long horizons and broad parameter spaces remains computationally…Jie Xiong, Yue Wu, Xuewei Zhou et al.·May 8, 2026SaveLearn
Physics Aware Representation Learning on Electronic Charge Density for Materials Property PredictionThe fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials…Kammampati Sai Kumar, Albert Linda, Shubham Kumar Maurya et al.·May 8, 2026SaveLearn
Fine-tuning a vision-language model for fracture-surface morphology recognitionVision-language models (VLMs) have shown strong potential for scientific image understanding, but general-purpose models often lack the domain-specific visual knowledge required for reliable…Quanliang Liu, Jungtaek Kim, Kangwook Lee et al.·May 8, 2026SaveLearn
Low-scaling GW calculations of quasi-particle energies for extended systems within the numerical atomic orbital frameworkThe many-body perturbation theory within the GW approximation is a widely used method for describing the electronic band structures in real materials. Its application to large-scale systems is,…Min-Ye Zhang, Peize Lin, Rong Shi et al.·May 8, 2026SaveLearn
Dynamical Simulation of On-axis Transmission Kikuchi and Spot Diffraction Patterns, Based on Accurate Diffraction Geometry CalibrationTransmission Kikuchi diffraction in the scanning electron microscope has gained popularity as a materials characterization technique for its high throughput and nanometer-level spatial resolution.…Tianbi Zhang, Raynald Gauvin, Aimo Winkelmann et al.·May 8, 2026SaveLearn
Two-dimensional clay channels for tunable nanofluidic memristorDynamic reconfiguration of charge carriers in confined ion-channels under electrical stimulation produces memory effects, where the internal resistance depends on history of the electric field.…Sangeeta Yadav, Raj Kumar Gogoi, Aziz Lokhandwala et al.·May 7, 2026SaveLearn
Moire based strain analysis in wurtzite GaAs -- rock-salt (Pb,Sn)Te core-shell nanowires grown by molecular beam epitaxyWe investigate core/shell GaAs/(Pb,Sn)Te nanowire nanoheterostructures with wurtzite (wz) GaAs cores and (Pb,Sn)Te topological crystalline insulator shells. The nanostructures have been grown by…Maciej Wojcik, Sania Dad, Piotr Dziawa et al.·May 7, 2026SaveLearn
Polarizable atomic multipoles for learning long-range electrostaticsLong-range electrostatics and polarization remain central obstacles to extending machine learning interatomic potentials (MLIPs) to ionic, polar, and interfacial systems. Here we introduce a…Yoonjae Park, Dongjin Kim, Daniel S. King et al.·May 7, 2026SaveLearn
SLayerGen: a Crystal Generative Model for all Space and Layer GroupsCrystal generative models have shown rapid progress for accelerating the discovery of bulk, periodic materials. However, many material systems such as 2D superconductors, thin film semiconductors,…Rees Chang, Andrew Novick, Ryan P Adams et al.·May 7, 2026SaveLearn
LLM-Guided Open Hypothesis Learning from Autonomous Scanning Probe Microscopy ExperimentsAutonomous experimentation has transformed microscopy and materials discovery by enabling closed-loop optimization including imaging and spectroscopy tuning, strucutre property relationship…Boris Slautin, Utkarsh Pratiush, Yu Liu et al.·May 7, 2026SaveLearn
Molecular dynamics simulation study of mechanical properties of 3C-SiC with extended defectsIn this study, large-scale molecular dynamics simulations with the Vashishta potential and the analytic bond-order potential (ABOP) were performed to investigate the effect of extended defects on the…Serhii Shmahlii, Andrey Sarikov·May 7, 2026SaveLearn
On Fano effect in IR spectra of hydrogenated nanodiamondsHydrogenated nanodiamonds may show a "transmission window" in infra-red spectra in the vicinity of diamond Raman frequency. This phenomenon is a manifestation of resonance coupling of…Andrei A. Shiryaev, Evgeni A. Ekimov·May 7, 2026SaveLearn
From Deposition Stress to Surface Reactivity: Strain-Dependent Hydrogen Evolution on Sputtered Platinum Thin FilmsStrain has emerged as a promising approach for tuning electrocatalytic properties, yet its role in sputter-deposited thin films remains poorly understood. In this work, magnetron-sputtered platinum…Sabrina Baha, Alejandro E. Perez Mendoza, Leonardo H. Morais et al.·May 7, 2026SaveLearn
Winding feature and thermal evolution of the Dirac magnons in CrI3Two-dimensional honeycomb lattice ferromagnet chromium tri-iodide (CrI3) has attracted tremendous interest because it retains ferromagnetism down to the monolayer limit and hosts intriguing…Weiliang Yao, Matthew B. Stone, Colin L. Sarkis et al.·May 7, 2026SaveLearn
Disentangling magnetic and optical contributions in ultrafast dynamics of antiperovskite non-collinear antiferromagnetsNon-collinear antiferromagnets are a class of spin-polarized antiferromagnets in which chiral spin textures give rise to Berry-curvature-driven phenomena, such as the anomalous Hall effect (AHE),…J. Kimak, Tomas Ostatnicky, M. Nerodilova et al.·May 7, 2026SaveLearn
Transformation-mediated twinning governs plasticity in body-centered cubic nanocrystals under extreme loadingPlasticity in body-centered cubic (BCC) nanocrystals is often associated with twin nucleation phenomena under extreme loading conditions. Here, we reveal unconventional twinning pathways that operate…Jan Očenášek, Jesper Byggmästar, Guanying Wei et al.·May 7, 2026SaveLearn
Unraveling the Origin of Ferrimagnetic Signatures in (Fe,Mn,Ga)2O3 Bixbyites: The Role of Structurally-Undetectable Spinel ImpuritiesThe cubic Fe2-xMnxO3 is an intriguing material that has recently been investigated for various applications, including lithium-ion battery anodes, catalysts, energy storage media, humidity sensors,…Evgeniya Moshkina, Yuriy Knyazev, Ekaterina Smorodina et al.·May 7, 2026SaveLearn
Fermi energy Weyl nodes in AMTe4 (A=Ta, Nb, M=Ir, Rh)Key aspects of the quantum oscillations and magnetoresistance in Weyl semimetals AMTe4 (A=Nb,Ta, M=Rh, Ir) persist as open questions, obscuring the link between their topological electronic…Shivam Parasar, Jeroen van den Brink, Rajyavardhan Ray·May 7, 2026SaveLearn
A Comparative Study of Projected and Unprojected Schemes for Micromagnetic SimulationsIn micromagnetic simulations, the constant magnitude of the magnetization can be derived from the continuity equation. Since the time evolution of the magnetization in the continuity equation is…Changjian Xie·May 7, 2026SaveLearn
A Scalable Translationally Invariant Variational Theory of Ab Initio PolaronsWe introduce a scalable, translationally invariant variational theory for ab initio polarons that remains applicable across coupling regimes without resorting to supercells. Our approach combines a…Moritz K. A. Baumgarten, Hamlin Wu, Tong Jiang et al.·May 7, 2026SaveLearn