Continuous PT-Symmetry Breaking as a Design Variable for Giant Altermagnetic Spin SplittingMagnetic point-group analysis classifies altermagnets but returns only a binary symmetry verdict, leaving spin-splitting energy (SSE) inaccessible without spin-polarized density functional theory…Kichan Chun, Gunn Kim·Apr 11, 2026SaveLearn
Accelerated Dopant Screening in Oxide Semiconductors via Multi-Fidelity Contextual Bandits and a Three-Tier DFT Validation FunnelBand gap engineering of oxide semiconductors through doping is critical for photocatalysis and optoelectronics, yet the combinatorial space of dopant elements, substitution sites, and co-doping…Abhinaba Basu·Apr 11, 2026SaveLearn
Concise overview of methods to enhance the thermoelectric efficiency of SnTeSnTe is a potential thermoelectric material in the mid temperature range. Detailed techniques to enhance the figure of merit by increasing the Power Factor, and reducing thermal conductivity, of…Diptasikha Das, Kartick Malik·Apr 11, 2026SaveLearn
Exchange Frustration and Topological Magnetism in Electrostatically Doped SrRuO3Magnetism in transition-metal systems emerges from exchange interactions that depend sensitively on carrier density. Yet leveraging this sensitivity to deliberately engineer exchange frustration and…Naafis Ahnaf Shahed, Himanshu Mavani, Zhonglin He et al.·Apr 11, 2026SaveLearn
Selective Random Structure Search (SRSS): Unbiased Exploration of Polymorphs in CrystalsCrystal structure prediction has traditionally relied on prototype-based seeding, approaches that often bias sampling toward known low-energy basins and overlook metastable polymorphs with…Jiexi Song, Diwei Shi, Aixian She et al.·Apr 10, 2026SaveLearn
Grain Growth Kinetics in (Cr,Mo,Ta,V,W)C1-δ High-Entropy Carbide CeramicsUnderstanding grain-boundary mobility during spark plasma sintering can enable microstructure control in high-entropy carbides, yet quantitative grain-growth kinetics remain scarce. In this work,…Ali Sarikhani, Gregory E. Hilmas, David W. Lipke et al.·Apr 10, 2026SaveLearn
Pressure-Driven Activation of Semi-core p-Orbitals in Rb and Cs via Crystal-Field SplittingHigh-pressure unconventional oxidation states are attributed to exceptional charge transfer, which is itself induced by the differential pressure response of atomic orbital energy levels. The high…Shuran Ma, Shuyang Sun, Dengyao Yu et al.·Apr 10, 2026SaveLearn
Vapor-liquid-solid growth of unconventional nanowiresVapor liquid solid (VLS) growth is one of the most widely used routes for nanowire synthesis. For conventional semiconductor nanowires, here we refer to group IV and III-V systems, decades of work…Thang Pham, Arindom Nag·Apr 10, 2026SaveLearn
How Does Intercalation Reshape Layered Structures? A First-Principles Study of Sodium Insertion in Layered Potassium BirnessiteThis study presents a first-principles study at the level of hybrid-level density functional theory of the sodium intercalation process in a layered potassium birnessite (a layered manganese dioxide,…Adriana Lee Punaro, Daniel Maldonado-Lopez, Jorge L. Cholula-Díaz et al.·Apr 10, 2026SaveLearn
Closing the ultrahigh temperature metrology gap: non-contact thermal conductivity (k) and spectral emittance (λ) of molybdenum up to 3200 KAdvances in next-generation hypersonic hot structures, high heat-flux fusion or fission components, and laser based additive manufacturing depend on reliable solid state thermal conductivity data at…Hunter B. Schonfeld, Elizabeth Golightly, Milena Milich et al.·Apr 10, 2026SaveLearn
Ultrasonic characterization of generally anisotropic elasticity implementing optimal zeroth-order elastic bounds and a wave-fitting approachThe elastic behavior of materials is of critical importance for the design, fabrication, and testing of industrial and structural components. The ease with which the wave angle of incidence can be…Diego Cowes, Juan I. Mieza, MArtín P. Gómez·Apr 10, 2026SaveLearn
Structural Motif Selection in Fluorinated Metal-Organic Chalcogenides Driven by Ligand ElectrostaticsHybrid organic-inorganic materials enable systematic structural tuning through chemical modification of organic ligands. Predictive control, however, requires mechanistic understanding of how ligand…Md. Saiful Islam, Tomoaki Sakurada, Yeongsu Cho·Apr 10, 2026SaveLearn
Self-compensation by silicon DX centers in ultrawide-bandgap nitridesDX behavior limits n-type carrier concentrations in ultrawide-bandgap nitrides such as aluminum nitride (AlN) and cubic boron nitride (c-BN). Instead of acting as effective-mass donors,…John L. Lyons, Darshana Wickramaratne·Apr 10, 2026SaveLearn
Ferromagnetic interlayer exchange coupling in a few layers of CrSBr on a gold thin filmThe two-dimensional character of van der Waals magnets allows for efficient control of their properties via proximity effects and electrical stimuli, making them promising candidates for application…Rixt Bosma, Darius A. Pacurar, Daniel Sade et al.·Apr 10, 2026SaveLearn
Heterogeneous Molecular Signatures of Human Odor PerceptionUnderstanding how molecular structure gives rise to odor perception remains a long-standing challenge, with ongoing debate over whether olfaction is primarily governed by molecular shape, vibrational…P. Zanineli, E. V. C. Lopes, G. R. Schleder et al.·Apr 10, 2026SaveLearn
Numerical Modeling of Solvent Diffusion through the Transition Metal Dichalcogenides based NanomaterialsThis article presents a numerical simulation of solvent diffusion in transition metal dichalcogenide based nanomaterials during solvothermal reaction, leading to layer exfoliation and, consequently,…Geetika Sahu·Apr 10, 2026SaveLearn
Oxygen-Mediated Phase Evolution in Sputtered Cu-W-O: Insights into Surface Chemistry VariabilityThin films of Cu-W-O ternary compounds were fabricated via DC magnetron co-sputtering from Cu and W metallic targets under controlled oxygen partial pressures, followed by thermal annealing.…José Montero-Amenedo·Apr 10, 2026SaveLearn
Challenges and mitigation pathways in coating silver nanowire networks with metallic oxides by RF magnetron sputteringAs silver nanowire (AgNW) networks reach increasing technological maturity, research efforts are progressively shifting toward their integration into functional devices. In this context, it is…Amaury Baret, Ambreen Khan, Sude Akin et al.·Apr 10, 2026SaveLearn
On the origin of superlattice stacking faults nucleation via climb of Frank partial in CoNi-based superalloysHigh-temperature deformation in superalloys is governed by the cooperative glide-climb motion of dislocations. Superlattice stacking faults (SFs) in the gamma prime phase are predominantly…Zhida Liang, Yinan Cui, Li Wang et al.·Apr 10, 2026SaveLearn
Synergistic Interplay between Surface Polarons and Adsorbates for Photocatalytic Nitrogen Reduction on TiO2(110)Photocatalytic nitrogen reduction under ambient conditions represents a promising pathway toward sustainable ammonia production. However, the fundamental mechanisms, particularly the role of…Manoj Dey, Ritesh Kumar, Abhishek Kumar Singh·Apr 10, 2026SaveLearn
Nonlinear electron-phonon coupling drives light-induced symmetry switching in charge-density wavesUltrafast optical excitation in charge-density wave (CDW) crystals can transiently suppress long-range order, driving the lattice toward higher symmetry on femtosecond timescales. Here, we formulate…Christoph Emeis, Fabio Caruso·Apr 10, 2026SaveLearn
Competing thermalization pathways of photoexcited hot electronsPhotoexcited hot carriers in solids can drive processes, such as photocatalytic reactions on the surface, beyond those available in thermal equilibrium. Hot-electron-mediated reaction pathways are…Christopher Seibel, Tobias Held, Markus Uehlein et al.·Apr 10, 2026SaveLearn
Balancing Thermodynamics, Kinetics, and Reversibility in Ti-Doped MgB2H8: A First-Principles Assessment of a Practical Solid-State Hydrogen Storage MaterialHydrogen storage remains a key challenge for the development of a sustainable hydrogen energy system, where materials must satisfy requirements on storage capacity, thermodynamics, kinetics, and…Sikander Azam, Wilayat Khan·Apr 10, 2026SaveLearn
Favorable half-Heusler structure of synthesized TiCoSb alloy: a theoretical and experimental studyThe most favorable structure of the synthesized TiCoSb half-Heusler alloy is explored theoretically and experimentally, and the best structure for thermoelectric conversion is reported. Rietveld…Pallabi Sardar, Suman Mahaka, Soumyadipta Pal et al.·Apr 10, 2026SaveLearn
Linking Calendar and Cycle Ageing in Lithium-Ion Batteries through Consistent Parameterisation of an Electrochemical-Thermal-Degradation ModelParameterisation of coupled degradation mechanisms in lithium-ion batteries is a major challenge. Interactions between the mechanisms depend on usage conditions: C-rate, rest state-of-charge (SoC),…Ganesh Madabattula·Apr 10, 2026SaveLearn