jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Fan Wu | Yanqiu Chu | Guangjian Xing
Source:  (article, 2025-01-15)
Field: Materials Science — Materials Chemistry

Preparation of Ti3C2TX MXene/PVA composite films for gas and humidity sensing applications The development of sensing materials with high conductivity and large surface area is the focus of future research as these characteristics are crucial for achieving high sensitivity in resistive sensors. In this study, a Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene dispersion was prepared using an LiF/HCl etching process. PVA microfibers films prepared with an electrospinning method were then impregnated into the above Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> dispersion for the preparation of Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>/PVA composite films using a dipping-drying method. The gas sensing and humidity sensing properties of these composites films were investigated in detail. The composite films exhibited high sensitivity to NH<sub>3</sub> in gas sensing, with a sensitivity of 0.075 over a wide range (10-200 ppm), along with a fast response time (26 s), fast recovery time (17 s), and good cyclic stability. In terms of humidity sensing, the Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>/PVA composite films demonstrated high sensitivity within a wide range (0.83, 11-33% RH; 13.93, 33-84% RH; 54.78, 84-97% RH), with the moisture hysteresis being approximately 4.45% RH. Moreover, it displayed a rapid response time (5 s) and recovery time (4.5 s), as well as good cycle stability. Overall, the MXene/PVA composite film has wide applications and demonstrates great potential in both gas and humidity sensing. Composite number ; Humidity ; Materials science ; Composite material ; Physics ; Meteorology MXene and MAX Phase Materials ; Advanced Thermoelectric Materials and Devices ; 2D Materials and Applications
Authors: Shijie Ma | Tong Tang | Chang Du | Zheng Yang | Binjie Gan
Source: Plants (article, 2025-07-16)
Field: Materials Science — Materials Chemistry

Engineering Oilseed Microbiome Synergy for Saline Alkaline Soil Restoration Soil salinization poses a critical threat to global agriculture, necessitating innovative strategies for sustainable remediation. This review synthesizes advances in leveraging plant-microbe interactions to remediate saline-alkali soils, focusing on oilseed crops-<i>Brassica napus</i>, <i>Glycine max</i>, <i>Arachis hypogaea</i>, <i>Helianthus annuus</i>, and <i>Sesamum indicum</i>-as keystone species for ecosystem restoration. These crops exhibit unique adaptive strategies, including root architectural plasticity and exudate-mediated recruitment of stress-resilient microbiomes (Proteobacteria, Actinobacteria, and Ascomycota), which collectively stabilize soil structure and enhance nutrient cycling, ion homeostasis, and soil aggregation to mitigate soil salinity and alkalinity. Emerging technologies further amplify these natural synergies: nanomaterials optimize nutrient delivery and microbial colonization, while artificial intelligence (AI) models predict optimal plant growth-promoting rhizobacteria (PGPR) combinations and simulate remediation outcomes. This integration establishes a roadmap for precision microbiome engineering, offering scalable strategies to restore soil health and ensure food security in saline-alkali ecosystems. Soil salinity ; Environmental remediation ; Environmental science ; Alkali soil ; Ecosystem ; Biology ; Agronomy ; Ecology ; Soil water Nanoparticles: synthesis and applications ; Plant-Microbe Interactions and Immunity ; Plant tissue culture and regeneration
Authors: Hui Li | Gopi Kalaiyarasan | Xiangyu Cao | Mumtaz Ali | Bonkee Koo | Woo-Yeon Kim | Doyeon Lee | Min Jae Ko
Source: Small (article, 2025-07-23)
Field: Materials Science — Materials Chemistry

Selenized Binary Transition Metals‐MXene Composite for High‐Performance Asymmetric Hybrid Capacitors The exploration of innovative and high-efficiency energy storage materials is crucial for advancing high-performance supercapacitors. In this study, a novel composite material is synthesized, comprising multilayered MXene (Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>) nanoparticles integrated with porous NiCo<sub>2</sub>Se<sub>4</sub> nanosheets. The accordion-like nanostructure of MXene and its strong interfacial interactions enhance the surface area and cycling stability of the nanocomposite. Additionally, substituting selenium (Se) for Ni-Co-based hydroxides modulates orbital hybridization with the corresponding metal cations, significantly improving electrochemical activity and reducing the adsorption/desorption energy barrier for electrolyte ions. The synergistic interaction between these two materials enabled the composite electrode to achieve a high specific capacity of 796.25 C g<sup>-1</sup> at 1 A g<sup>-1</sup> while maintaining over 90% of its initial capacity after 8000 cycles. Furthermore, the as-fabricated asymmetric hybrid capacitor, employing activated carbon as the negative electrode, delivered an energy density of 64.36 Wh kg<sup>-1</sup> at a power density of 0.8 kW kg<sup>-1</sup>, surpassing the performance of most previously reported hybrid capacitors. The developed composite structure holds significant potential for integration into various electrochemical devices, such as batteries, sensors, and electrolyzers. Supercapacitor ; Materials science ; Nanocomposite ; Composite number ; Electrolyte ; Capacitor ; Electrode ; Chemical engineering ; Electrochemistry ; Nanoparticle ; Nanotechnology ; Energy storage ; Hybrid material ; Power density ; Composite material ; Chemistry MXene and MAX Phase Materials ; Supercapacitor Materials and Fabrication ; Advancements in Battery Materials
Authors: Limin Li | Kan Xu | Rui Su | Huan Gu | Piao Ma
Source: AI for Materials (article, 2025-11-25)
Field: Materials Science — Materials Chemistry

Data Speaks: LLM-Enabled Evidence Auditing Resets the “Migration Barrier” Playbook for Solid-State Electrolytes Reported activation barriers for ion transport in solid-state electrolytes often disagree, not because the physics is capricious, but because our computational workflows privilege convenience over coverage. By joining a domain-curated database with a language model that can normalize entities and assemble comparable cohorts, a recent pioneering study by Wang et al. shows that long-standing assumptions about “standard” activation barrier calculations fail a simple test: accuracy across families. Single-path CI-NEB and high-temperature AIMD extrapolated to device conditions deviate systematically for specific classes of materials, whereas ab initio metadynamics (MetaD) aligns more closely with experiment and repeatedly reveals a two-step migration mechanism in neutral-molecule-coordinated hydrides. The point is not to anoint a universal winner; it is to treat method’s reliability as an object of study, measured against data at scale. Metadynamics ; Reliability (semiconductor) ; Workflow ; Privilege (computing) ; Object (grammar) ; Point (geometry) ; Electrolyte ; Ab initio Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion ; Inorganic Chemistry and Materials
Authors: Krishan Kumar | Annu Khatri | Indu Shekhar Thakur
Source: Green Energy and Environmental Technology (review, 2025-07-04)
Field: Materials Science — Biomaterials

Existing Scenario and Environmental Significance of Biodegradable Plastics: A Review for a Sustainable Future The growing environmental concerns regarding plastic pollution have driven research toward biodegradable plastics as a sustainable alternative to conventional petroleum-based polymers. Biodegradable plastics, derived from renewable sources such as starch, polylactic acid, and polyhydroxyalkanoates, offer a promising solution to mitigate plastic waste accumulation. This review explores the current scenario of biodegradable plastics, emphasizing their environmental significance in reducing landfill burden and marine pollution. Various production methods, including microbial fermentation, chemical synthesis, and biopolymer blending, are discussed to highlight advancements in sustainable manufacturing processes. The physicochemical and mechanical properties of biodegradable plastics, including tensile strength, degradation rate, and thermal stability, are analysed to assess their viability across industries. Furthermore, their applications span packaging, agriculture, biomedical fields, and consumer goods, demonstrating their versatility of use. However, cost competitiveness remains a significant challenge, as biodegradable plastics often have higher production costs than conventional plastics, limiting large-scale adoption. Strategies such as improved bioprocessing techniques, policy interventions, and circular economy approaches are essential for enhancing economic feasibility. This review underscores the need for continued innovation and policy support to drive the widespread adoption of biodegradable plastics, ultimately contributing to a sustainable and environmentally responsible future. Biochemical engineering ; Risk analysis (engineering) ; Environmental science ; Engineering ; Business biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Additive Manufacturing and 3D Printing Technologies
Authors: Luca Demonti | Daniel Joven‐Sancho | Miguel Baya | Noel Nebra
Source: Chemistry - A European Journal (review, 2025-07-21)
Field: Chemistry — Inorganic Chemistry

Platform Design Enabling Silver(III) Stabilization ─ The Uprise of Ag<sup>III</sup>CF<sub>3</sub> Chemistry? Unlike its coinage metal counterparts, copper and gold, silver chemistry remains poorly developed and mostly restricted to the oxidation state +I, which embraces a large variety of coordination environments and types of ligand. Higher oxidation states, that is, +II and +III, are significantly less represented and predominantly adopt a square planar (SP-4) geometry around the metal center. In particular, well-defined d<sup>8</sup> Ag<sup>III</sup> compounds are scarce, and include only a handful of examples exhibiting out-of-plane silver coordination. This Concept Article summarizes the strategies known to stabilize Ag<sup>III</sup>, as well as the unusual electronic structures (inverted ligand field) often found in these compounds. The intriguing case study of the expansion in the coordination number in Ag<sup>III</sup>CF<sub>3</sub> compounds will be highlighted. Chemistry ; Inorganic chemistry Inorganic Fluorides and Related Compounds ; Metal-Organic Frameworks: Synthesis and Applications ; Carbon dioxide utilization in catalysis
Authors: Mehmet Yılmaz | Adem Koçyiğit | Erman Erdoğan | Murat Yıldırım | Maria Luisa Grilli
Source: Journal of Materials Science Materials in Electronics (article, 2025-05-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ag/Ga2O3/n-Si Schottky-type photodetector for visible light detection Abstract Gallium oxide (Ga 2 O 3 ) is an ultra-wide band gap material which has been receiving increasing interest for its potential applications in power electronics, ultraviolet (UV) photodetectors, and gas sensors. In this study, we have synthesized β -phase Ga 2 O 3 on n-Si substrate using the electrodeposition technique, and investigated its properties for use in photodetector applications for broadband detection combining Si and Ga 2 O 3 . X-ray diffractometer (XRD), scanning electron microscope (SEM) with energy dispersive x-ray (EDX) analysis were conducted to illuminate structural and morphological behaviors of the Ga 2 O 3 . Ag metallic contacts on the Ga 2 O 3 /n-Si junction and Al ohmic contact on the back surface of the n-Si were obtained by thermal evaporation technique. Thus, Ag/Ga 2 O 3 /n-Si Schottky-type photodetectors were fabricated and characterized by current–voltage ( I-V ) measurements depending on various light power intensities and wavelengths ranging from UV to near-infrared (NIR). The diode characteristics, as well as the photodetection parameters such as responsivity, specific detectivity, and external quantum efficiency ( EQE ) were determined and discussed in detail. The Ag/Ga 2 O 3 /n-Si Schottky-type photodetectors showed high performances: 122.88 A/W responsivity, 1.07 × 10 12 Jones specific detectivity, and very high EQE value of 2.18 × 10 4 % at 700 nm wavelength. The obtained Ag/Ga 2 O 3 /n-Si Schottky-type photodetector exhibits promising potential as a candidate for optoelectronic applications in the visible range. These photodetectors can be used in visible light communication, light sensing and cameras. Photodetector ; Materials science ; Optoelectronics ; Visible spectrum ; Schottky diode ; Optics ; Physics Ga2O3 and related materials ; Transition Metal Oxide Nanomaterials ; Semiconductor materials and devices
Authors: Yongxiao Tuo | Jifeng Qu | Hui Sun | Qing Lu | Bin Wang | Hongwei Gai | Defu Yin | Xiang Feng | De Chen
Source: Nature Communications (article, 2025-12-09)
Field: Chemistry — Inorganic Chemistry

Reactant-dependent volcano trends in Pt-catalyzed cycloalkane dehydrogenation: orbital hybridization-guided design of active sites Catalyst design is often reaction-specific due to the lack of universal descriptors linking molecular structures to optimal active-site configurations. Here, we uncover a reactant-dependent volcano relationship in Pt-catalyzed dehydrogenation, governed by the Pt-Pt coordination number (CN<sub>Pt-Pt</sub>). Using a tunable Pt/MgAl<sub>2</sub>O<sub>4</sub> system, we identify optimal CN<sub>Pt-Pt</sub> values of ~2.5, ~4.7, and ~7.0 for cyclohexane, methylcyclohexane, and decalin, respectively. This activity trend is explained by an orbital hybridization-guided mechanism, where optimal activity emerges from a balance between C-H bond activation and product desorption, mediated by the interactions between Pt d-orbitals and the π* orbitals of dehydrogenated intermediates. We introduce the LUMO energy of aromatic products as a universal electronic descriptor that serves as a proxy for π* orbital energy. LUMO energy shows strong linear correlations with the d-band center of Pt at the optimal CN<sub>Pt-Pt</sub>, enabling rational tuning of electronic interactions across diverse reactants. The optimized Pt/MgAl<sub>2</sub>O<sub>4</sub> catalyst delivers 2-3 times higher activity with >100 h stability under industrial conditions at only 300 <sup>o</sup>C, offering a robust strategy for hydrogen release and active-site engineering in dehydrogenation catalysis. Catalysis ; HOMO/LUMO ; Atomic orbital ; Rational design ; Dehydrogenation ; Volcano ; Polyhedron ; Density functional theory Asymmetric Hydrogenation and Catalysis ; Hybrid Renewable Energy Systems ; Hydrogen Storage and Materials
Authors: Xilong Wang | Shuai Zhao | Yao Zhang | Bai Dong-ya | Fengbo Qu | Zhiyi Song | Hui Chen | Tingting Liu
Source: Catalysts (article, 2025-07-12)
Field: Chemistry — Organic Chemistry

Enantioselective Iodination and Bromination for the Atroposelective Construction of Axially Chiral Compounds Axially chiral compounds play a pivotal role in organic synthesis, materials science, and pharmaceutical development. Among the various strategies for their construction, enantioselective iodination and bromination have emerged as powerful and versatile approaches, enabling the introduction of halogen functionalities that serve as valuable synthetic handles for further transformations. This review highlights recent advances in atroposelective iodination and bromination, with a particular focus on the synthesis of axially chiral biaryl and heterobiaryl frameworks. Key catalytic systems are discussed, including transition metal complexes, small-molecule organocatalysts, and high-valent metal catalysts in combination with chiral ligands or transient directing groups. Representative case studies are presented to elucidate mechanistic pathways, stereochemical induction models, and synthetic applications. Despite notable progress, challenges remain, such as expanding substrate scope, improving atom economy, and achieving high levels of regio- and stereocontrol in complex molecular settings. This review aims to provide a comprehensive overview of these halogenation strategies and offers insights to guide future research in the atroposelective synthesis of axially chiral molecules. Halogenation ; Enantioselective synthesis ; Axial symmetry ; Chemistry ; Organic chemistry ; Engineering ; Catalysis ; Structural engineering Axial and Atropisomeric Chirality Synthesis ; Molecular spectroscopy and chirality ; Alkaloids: synthesis and pharmacology
Authors: Mingjian Zhang | Aochi Liu | Xiangyu Meng | Yuening Wang | Jian Yu | Hao Liu | Yu Sun | Lei Xu | Xiaoyu Song | Jiahao Zhang | Li Sun | Jie Lin | Aiguo Wu | Xiaotian Wang | Ningli Chai | Li Li
Source: Small (article, 2025-08-12)
Field: Materials Science — Materials Chemistry

Amorphous‐Crystalline Synergy in CoSe<sub>2</sub>/CoS<sub>2</sub> Heterostructures: High‐Performance SERS Substrates for Esophageal Tumor Cell Discrimination Although surface-enhanced Raman scattering (SERS) spectroscopy is applied in biomedicine deeply, the design of new substrates for wider detection is still in demand. Crystalline-amorphous CoSe<sub>2</sub>/CoS<sub>2</sub> heterojunction is synthesized, with high SERS performance and stability, composed of orthorhombic (o-CoSe<sub>2</sub>) and amorphous CoS<sub>2</sub> (a-CoS<sub>2</sub>). By adjusting feed ratio, the proportion of a-CoS<sub>2</sub> to o-CoSe<sub>2</sub> is regulated, where CoSe<sub>2</sub>/CoS<sub>2</sub>-S50 with a 1:1 ratio demonstrates the best SERS performance due to the balance of two components. It is confirmed through experimental and simulation methods that o-CoSe<sub>2</sub> and a-CoS<sub>2</sub> have unique contribution, respectively: a-CoS<sub>2</sub> has rich vacancies and a higher density of active sites, while o-CoSe<sub>2</sub> further enriches vacancies, enhances electron delocalization and charge transfer (CT) capabilities, and reduces bandgap. Besides, CoSe<sub>2</sub>/CoS<sub>2</sub>-S50 achieves not only SERS detection of two common esophageal tumor cells (KYSE and TE) and healthy oral epithelial cells (het-1A), but also the discrimination with high sensitivity, specificity, and accuracy via machine learning (ML) analysis. Materials science ; Amorphous solid ; Heterojunction ; Optoelectronics ; Nanotechnology ; Chemical engineering ; Crystallography ; Chemistry Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Nanocluster Synthesis and Applications
Authors: Hailong Shi | Xiaohuan Zhang | Xin Li | Yining Zhang | Siqi Li | You Wang | Xiaojun Wang | Xiaoshi Hu | Xuejian Li | Chao Xu | Weimin Gan | Chao Ding
Source: Materials (article, 2025-07-30)
Field: Materials Science — Biomaterials

Tailoring Microstructure via Rolling to Achieve Concurrent High Strength and Thermal Conductivity in Mg-Zn-Nd-Zr Alloys This study examined the comprehensive properties of Mg-Zn-Nd-Zr alloys in order to achieve both high strength and thermal conductivity simultaneously. The impact of rolling on the microstructure, mechanical properties, and thermal conductivity was analyzed for Mg-5Zn-xNd-0.4Zr alloys (x = 1, 2). The results indicate that the addition of Nd promotes the formation of the W phase (Mg<sub>3</sub>Zn<sub>3</sub>RE<sub>2</sub>), which contributes to grain boundary strengthening and enhances the overall strength. Moreover, dynamic precipitation during the rolling process leads to the formation of nanoscale MgZn<sub>2</sub> and Zn<sub>2</sub>Zr phases, significantly improving both the strength and thermal conductivity. After rolling, both the Mg-5Zn-1Nd-0.4Zr (ZNK510) and Mg-5Zn-2Nd-0.4Zr (ZNK520) alloys exhibited a notable enhancement in thermal conductivity, with ZNK520 demonstrating superior properties due to its higher Nd content. This study highlights that optimizing alloy composition and phase evolution through rolling can markedly enhance both the mechanical and thermal properties, offering a promising strategy for the development of high-performance magnesium alloys. Materials science ; Microstructure ; Thermal conductivity ; Alloy ; Precipitation ; Grain boundary ; Metallurgy ; Phase (matter) ; Magnesium alloy ; Thermal ; Composite material ; Thermodynamics Magnesium Alloys: Properties and Applications ; Aluminum Alloys Composites Properties ; Aluminum Alloy Microstructure Properties
Authors: Oliver Beyss | Chijioke Kenneth Akuata | Laura Kopruch | Daniela Zander
Source: Corrosion Science (article, 2025-11-21)
Field: Materials Science — Metals and Alloys

Understanding hydrogen diffusion and trapping in overaged 7xxx series Al alloys using a reliable electrochemical hydrogen permeation method The diffusion and trapping of H in overaged commercial 7xxx series alloys of the second and third generation is first studied using an enhanced electrochemical permeation method involving sputter etching of the native oxide and hydrogen charging by alkaline corrosion at the open circuit potential. Proof of concept is provided demonstrating remarkable experimental reproducibility and addressing common experimental errors, such as native oxide films, localized corrosion and buildup of corrosion products. A commercial second and third generation 7xxx series alloy exhibit effective H diffusion coefficients of 1.6 ± 0.7 × 10 −10 cm 2 /s and 3.7 ± 0.3 × 10 −10 cm 2 /s, respectively. The different H diffusivities were explained by extensive H trapping in coarse intermetallic Al 7 Cu 2 Fe and S-phase particles, alongside potential trapping at the interface of quench-induced grain-boundary precipitates with lower Zn content. • A reliable H permeation method for Al alloys is proposed. • The effect of the native oxide film on H permeation was demonstrated. • Excellent reproducibility is demonstrated on commercially pure Al foil. • First application of H permeation method for modern commercial 7xxx series alloys. • Effective H diffusivity is governed by trapping at Al 7 Cu 2 Fe, S-phase and η-GBPs. Permeation ; Oxide ; Corrosion ; Trapping ; Alloy ; Thermal diffusivity ; Hydrogen ; Diffusion Hydrogen embrittlement and corrosion behaviors in metals ; Aluminum Alloy Microstructure Properties ; Microstructure and mechanical properties
Authors: Jiahan Zhao | Yingshuang Li | Zhuoyuan Bi | Guanwu Lian | Guokang Chen | Pei Liu | Yuan Meng | Fangming Jin | Xiaoxu Zhao | Zhonghua Li | Jianyong Feng | Jiangbo Xi | Zhongxin Chen
Source: Advanced Functional Materials (article, 2025-09-10)
Field: Chemistry — Organic Chemistry

Copper Single‐Atom Decorated Microfibrous Catalysts for Continuous‐Flow Reduction of Nitroarenes Abstract Continuous‐flow fixed‐bed reactors effectively bridge laboratory research and industrial production. As the key component, the catalyst module must demonstrate high catalytic activity and rapid reactant distribution to maximize the catalytic turnover. Herein, a facile strategy is proposed to fabricate a microfibrous catalyst by decorating Cu single atoms (Cu 1 ) on composite microfiber (CMF) made from N‐doped holey graphene (NHG) and regenerated cellulose of waste paper. Benefiting from the high density of atomic metal species, maximized utilization of active sites, strong metal‐support interactions, and fibrous morphology with adjustable packing density, such a CMF‐supported Cu single‐atom catalyst (Cu 1 /CMF) displayed a benchmarking processing capacity of 1.92 mmol mg cat −1 h −1 and superior durability (≥ 25 cycles) for catalytic reduction of nitroarenes, surpassing the reported catalysts. This work opens new possibilities for continuous‐flow catalysis in organic transformations in a greener and more sustainable way. Catalysis ; Copper ; Composite number ; Cellulose ; Graphene ; Microfiber ; Metal ; Durability Nanomaterials for catalytic reactions ; Caching and Content Delivery ; Advanced Photocatalysis Techniques