文献openalex2026-08-20cc-by
Chemical representation remains a central obstacle to applying machine learning (ML) in polymer science, and the difficulty compounds in multi-component formulations, where each polymer, solvent, and additive must be featurized independently and the inter-component interactions that often govern ma…
doi: 10.26434/chemrxiv.15007670/v1source:openalex: https://openalex.org/W7203822473
文献openalex2026-08-20cc-by-nc-nd
The precise spatial engineering of quantum phases stands as a major challenge in condensed matter physics, with profound implications for fundamental science and quantum technologies. While moiré heterostructures have enabled remarkable tunability on the correlated states, the deterministic spatial…
doi: 10.1038/s41467-026-77046-6source:openalex: https://openalex.org/W7203823176
文献openalex2026-08-20cc-by
BACKGROUND: The utilization of endophytes as specialized microbial cell factories offers a sustainable and high-efficiency platform for the biosynthesis of functionalized nanomaterials. This study investigates the potential of a novel endophytic yeast, Clavispora lusitaniae, to produce cerium oxide…
doi: 10.1186/s12934-026-03091-xsource:openalex: https://openalex.org/W7203823290
文献openalex2026-08-20cc-by
Abstract Nitrates, common atmospheric compounds, have been observed in atmospheric environments where they can deposit on metal surfaces along with seawater aerosols. In many cases, nitrates have been shown to inhibit localized corrosion of stainless steels, a common infrastructure material compone…
doi: 10.1149/1945-7111/ae9c73source:openalex: https://openalex.org/W7203822862
文献openalex2026-08-20cc-by-nc-nd
This paper presents a comprehensive first-principles study of Be 0.75 Cd 0.25 X and Be 0.5 Cd 0.25 Zn 0.25 X, comparing them with BeX (X = S, Se, and Te) chalcogenides. The strictest convergence criteria have been imposed using the PBE-GGA exchange-correlation function to study structural stability…
doi: 10.1038/s41598-026-61348-2source:openalex: https://openalex.org/W7203822533
文献openalex2026-08-20cc-by-nc-nd
Abstract This work presents an artificial neural network (ANN) model, Jaguar Timer, which estimates the wall-clock time of quantum chemical calculations─specifically density functional theory (DFT) and time-dependent DFT (TDDFT) calculations. The ANN model is trained and tested on data generated wi…
doi: 10.1021/acsomega.6c07026source:openalex: https://openalex.org/W7203823175
文献openalex2026-08-20cc-by
Abstract Symbolic regression autonomously discovers interpretable mathematical expressions from data by optimizing functional structure and associated parameters. Unlike traditional regression approaches that rely on predefined model forms, symbolic regression generates explicit models that maintai…
doi: 10.1007/s11831-026-10681-wsource:openalex: https://openalex.org/W7203823106
文献openalex2026-08-20许可待确认
Abstract The reaction of toluene side-chain alkylation with methanol represents a potential route to reduce the energy consumption in large-scale styrene production. In this study, we design a dual zeolite-based Cu–Cs catalytic system that constructs a catalytic enhancement path to produce styrene…
doi: 10.1021/acssuschemeng.6c04776source:openalex: https://openalex.org/W7203822853
文献openalex2026-08-20cc-by
ABSTRACT A‐site substitution in M n+1 AX n (MAX) phases with transition metals carrying partially filled 3 d orbitals offers a pathway to induce magnetism in otherwise nonmagnetic layered carbides/nitrides. Here, we investigate Nb 2 FeC, obtained by replacing the nonmagnetic Al site in Nb 2 AlC wit…
doi: 10.1002/aelm.70534source:openalex: https://openalex.org/W7203822340
文献openalex2026-08-20cc-by
Abstract Context Melanin-like dopamine oligomers are promising biomaterials due to their biocompatibility and metal-chelating ability. In this work, Zn 2+ -chelated melanin-related structures were investigated to clarify the effects of metal coordination on their electronic structure. The results i…
doi: 10.1007/s00894-026-06901-6source:openalex: https://openalex.org/W7203822898
文献openalex2026-08-20cc-by-nc-nd
Plant-mediated synthesis of nanoparticles has become widely recognized due to its cost-effective, sustainable, and efficient nature. In this study, the bark of Garuga pinnata Roxb., a plant known for its rich phytochemical profile, was utilized to synthesize zinc oxide (ZnO NPs) and silver nanopart…
doi: 10.1038/s41598-026-65436-1source:openalex: https://openalex.org/W7203822984
文献openalex2026-08-20cc-by
Traditional petroleum coke-based porous carbons suffer from low specific surface area, insufficient surface active sites, and inferior rate and cycling performance. Herein, a series of sulfur/fluorine-co-doped hierarchical porous carbon (S+F-PC) cathode materials were synthesized controllably from…
doi: 10.3390/en19163909source:openalex: https://openalex.org/W7203822364
文献openalex2026-08-20cc-by
Chitosan is a versatile carbohydrate polymer whose chemical modification enables control over interfacial structure, surface chemistry, and biomolecular interactions. Thiolated chitosan (TCh) promotes strong chemisorption onto gold surfaces via Au-S bonds while improving physicochemical properties.…
doi: 10.1021/acsabm.6c01121source:openalex: https://openalex.org/W7203822636
文献openalex2026-08-20cc-by
Two-dimensional GaSxTe1−x alloy nanosheets with different compositions were synthesized by chemical vapor deposition using GaS and GaTe powders as precursors. Scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS) analyses confirmed their sheet-like morphology and the uni…
doi: 10.3390/molecules31162912source:openalex: https://openalex.org/W7203823330
文献openalex2026-08-20许可待确认
ABSTRACT Bridging toxic metal remediation with high‐value materials manufacturing remains a major challenge for sustainable materials science. Here, we report a remediation‐driven upcycling strategy that directly converts aqueous Pb pollutants into an active material for X‐ray detection using a nit…
doi: 10.1002/adfm.77905source:openalex: https://openalex.org/W7203821689
文献openalex2026-08-20cc-by
Abstract The broken inversion symmetry and strong spin-orbit coupling of transition metal dichalcogenides and the resulting spin-valley locking are the foundation for potential two-dimensional spin devices and valleytronics. However, ultrafast valley polarization is difficult to characterize due to…
doi: 10.1038/s42005-026-02813-2source:openalex: https://openalex.org/W7203822077
文献openalex2026-08-20cc-by
A distributor, producing uniform flow, has been designed, manufactured, and installed onto the Actively Pumped Open-surface Lithium LOop (APOLLO) at the University of Illinois at Urbana-Champaign (UIUC). The anisotropic features of the distributor were determined using a two-step approach utilizing…
doi: 10.1016/j.fusengdes.2026.116023source:openalex: https://openalex.org/W7203822226
文献openalex2026-08-20许可待确认
ABSTRACT Terahertz (THz) metasurface absorbers have emerged as a promising platform for electromagnetic wave manipulation owing to their compact footprint, structural versatility, strong light‐matter interaction, and near‐unity absorbance, enabling applications in sensing, imaging, stealth technolo…
doi: 10.1002/adom.71671source:openalex: https://openalex.org/W7203821651
文献openalex2026-08-20cc-by
Abstract A rapid, single‐step microwave‐assisted hydrothermal method was developed for synthesizing a Ti 3 C 2 T x MXene–reduced graphene oxide–gold nanoparticle (MXene/rGO/AuNP) ternary nanocomposite, completed in 20 min at 120°C. This method eliminates the need for multistep processing while faci…
doi: 10.1002/viw2.70192source:openalex: https://openalex.org/W7203821656
文献openalex2026-08-20cc-by-nc-nd
In recent years, natural fiber reinforced composites have gained considerable attention of industries and researchers due to their sustainability, lightweight and cost-effectiveness. This study explores the mechanical and thermal performance of cotton/bamboo/glass (C/B/G) fiber-reinforced hybrid ep…
doi: 10.1007/s43939-026-00897-9source:openalex: https://openalex.org/W7203822137