jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Pham The Tan | Truong Quang Giang | Trần Thu Trang | Vu Xuan Hoa | Luu Tuan Duong | Ngo Thi Lan | Nguyen Thi Luyen | Nguyen Van Hao
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Microplasma-assisted green synthesis of glucose-stabilized silver nanoparticles: a dual-functional platform for SERS detection and synergistic reduction of binary dyes A rapid and environmentally sustainable approach for synthesizing glucose-stabilized silver nanoparticles (G-AgNPs) was developed using an atmospheric-pressure microplasma process that completely eliminates the need for conventional chemical reductants and surfactants. The synergistic interaction between plasma-generated reactive species and glucose molecules enabled the one-step formation of uniformly dispersed AgNPs exhibiting dual morphologies-spherical (∼8 nm) and hexagonal (∼16 nm)-with distinct localized surface plasmon resonances (LSPR) centered at ∼403 nm. These nanostructures produced abundant electromagnetic "hot spots," functioning as highly sensitive and reproducible SERS substrates capable of detecting Rhodamine 6G at concentrations as low as 10<sup>-9</sup> M (enhancement factor = 8.31 × 10<sup>7</sup>, RSD = 4.85%, <i>n</i> = 9). Simultaneously, the G-AgNPs demonstrated excellent catalytic activity toward the NaBH<sub>4</sub>-assisted reduction of methylene blue (MB) and rhodamine B (RhB), following pseudo-first-order kinetics with rate constants of <i>k</i> <sub>MB</sub> = 0.111 min<sup>-1</sup> and <i>k</i> <sub>RhB</sub> = 0.071 min<sup>-1</sup> for single-dye systems, and <i>k</i> <sub>MB</sub> = 0.085 min<sup>-1</sup> and <i>k</i> <sub>RhB</sub> = 0.068 min<sup>-1</sup> for the binary mixture (<i>R</i> <sup>2</sup> ≥ 0.97). The enhanced redox performance is consistent with a Langmuir-Hinshelwood-type surface-mediated mechanism, in which the glucose shell promotes electrostatic adsorption, mediates interfacial electron transfer, and enhances the colloidal stability of the AgNPs. By coupling plasmonic amplification with efficient catalytic reduction, the proposed microplasma-glucose strategy introduces a novel dual-functional nanoplatform for trace-level molecular detection and sustainable pollutant remediation. Rhodamine 6G ; Rhodamine B ; Catalysis ; Redox ; Silver nanoparticle ; Plasmon ; Molecule ; Nanoparticle ; Methylene blue Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Ahmed A. Bakhsh
Source: Arabian Journal of Chemistry (article, 2026-01-10)
Field: Materials Science — Surfaces, Coatings and Films

Chemical design and characterization of fluoropolymer-silica nanocomposite superhydrophobic coating for durable and self-cleaning photovoltaic cells Dust accumulation on photovoltaic (PV) solar panels significantly reduces the efficiency of energy conversion. Thus, innovative surface modifications are needed to mitigate soiling and enhance durability. This study presents the development of a robust polymer-based superhydrophobic coating designed to minimize dust adhesion while maintaining PV performance. The coating formulation integrates polyvinylidene fluoride (PVDF) as a hydrophobic matrix with superhydrophobic silica nanoparticles (SiO₂) to achieve optimal surface properties. The optimized composition, consisting of 2 wt% PVDF and 35 wt% SiO₂, exhibited a high-water contact angle of 155.8°, confirming its superior hydrophobicity. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) analyses revealed a rough hierarchical structure, which is a key factor in achieving superhydrophobicity. Mechanical durability was validated through peel tests, demonstrating strong adhesion and long-term stability. PV performance analysis of silicon solar cells coated with the developed material showed no reduction in power output, confirming its compatibility with solar energy applications. These findings highlight the potential of the proposed superhydrophobic coating to enhance the efficiency and longevity of PV panels in real-world conditions, addressing critical challenges in solar energy deployment. Polyvinylidene fluoride ; Coating ; Photovoltaic system ; Superhydrophobic coating ; Nanocomposite ; Contact angle ; Durability ; Scanning electron microscope ; Adhesion Surface Modification and Superhydrophobicity ; Photovoltaic Systems and Sustainability ; TiO2 Photocatalysis and Solar Cells
Authors: Yu Fujikata | Yasuji Muramatsu | Teruyasu Mizoguchi
Source: arXiv (Cornell University) (article, 2026-02-19)
Field: Chemistry — Physical and Theoretical Chemistry

Finite-size effects and energy alignment in molecular XANES under periodic boundary conditions: A systematic comparison of core-hole treatments X-ray absorption near-edge structure (XANES) provides element-specific insight into local electronic and structural environments, but quantitative interpretation of molecular XANES under periodic boundary conditions (PBC) remains challenging due to finite-size effects and core-hole treatments. In this work, we systematically investigate how core-hole approximations and charge compensation schemes affect transition energies, energy alignment, and chemical-shift reproducibility in PBC-DFT-based molecular XANES calculations. Using ethane as a model system, we show that the full core-hole (FCH) approach exhibits pronounced supercell-size dependence originating from interactions between background charge and charged molecules, with transition energies largely changed by leading-order finite-size terms. In contrast, the excited core-hole (XCH) method rapidly converges owing to its neutral final state. We further demonstrate that most finite-size effects in FCH can be removed by Makov-Payne corrections based on multipole expansion of the electrostatic energy of charged supercells under PBC. Furthermore, we propose a simple Fermi-level-based energy correction (EF/2) that provides comparable improvement using only a single supercell. Extending the analysis to an n-alkane series reveals that while intrinsic electronic-structure changes govern peak shifts for small molecules, systematic energy drifts persist in FCH for larger molecules, whereas XCH and FCH+EF/2 remain stable. Finally, for small molecules at the C and N K-edges, XCH and FCH+EF/2 accurately reproduce experimental chemical shifts, whereas uncorrected FCH fails. These results provide practical guidelines for reliable energy alignment and chemical-shift analysis in molecular XANES under PBC, supporting robust applications to molecular, adsorption, and interfacial systems. XANES ; Absorption (acoustics) ; Excited state ; Energy (signal processing) ; Charge (physics) ; Periodic boundary conditions ; Potential energy ; Work (physics) ; Series (stratigraphy) Photochemistry and Electron Transfer Studies ; Advanced Chemical Physics Studies ; Spectroscopy and Quantum Chemical Studies
Authors: Şerif Rüzgar
Source: Bitlis Eren Üniversitesi Fen Bilimleri Dergisi (article, 2026-03-24)
Field: Materials Science — Materials Chemistry

The Optoelectronic Characterization of Ag doped ZnO Thin Films This study investigates the properties of silver (Ag)-doped zinc oxide (ZnO) thin films, which possess significant potential for various optoelectronic applications. The films were fabricated utilizing a cost-effective nebulizer spray technique. Structural analysis confirmed that both the undoped and Ag-doped samples crystallized in the hexagonal wurtzite phase, characteristic of ZnO. Scanning electron microscopy (SEM) revealed that the incorporation of Ag significantly altered the surface morphology, resulting in an increased grain size and the formation of more irregular surface features. Optical measurements demonstrated that while Ag doping slightly reduced the films' transmittance, it concurrently narrowed the optical band gap, thereby enhancing light absorption within the visible region. Moreover, the photoluminescence characteristics were observed to be strongly dependent on the presence of the silver dopant. Finally, current-voltage (I-V) characterization affirmed that the Ag-doped ZnO films exhibited superior photoconductivity compared to their undoped counterparts. An evaluation of the photodetector performance parameters indicated a substantial improvement in photosensitivity, which increased from a value of 14.7 in undoped ZnO to 64.2 following the incorporation of Ag. Wurtzite crystal structure ; Thin film ; Photoconductivity ; Photoluminescence ; Doping ; Scanning electron microscope ; Zinc ; Characterization (materials science) ZnO doping and properties ; Chemical and Physical Properties of Materials ; Optical Coatings and Gratings
Authors: Abdul Hamid Malhan | Krishnan Thirumoorthy
Source: Frontiers in Chemistry (article, 2026-01-13)
Field: Chemistry — Inorganic Chemistry

Catalytic hydrogenation of acetone to isopropyl alcohol with CAl3MgH2¯ containing planar tetracoordinate carbon The current study, employing density functional theory, reports the hydrogenation of acetone to isopropyl alcohol catalyzed by CAl<sub>3</sub>MgH<sub>2</sub> <sup>¯</sup>, which contains a planar tetracoordinate carbon (ptC). Various computational approaches are employed to analyze acetone hydrogenation using the CAl<sub>3</sub>MgH<sub>2</sub> <sup>¯</sup> as a potential catalyst. The reaction initiates with the carbonyl insertion into the Mg-H bond of the CAl<sub>3</sub>MgH<sub>2</sub> <sup>¯</sup>, followed by hydrogenation using molecular hydrogen (H<sub>2</sub>). Analysis of natural atomic charges confirms that the H<sub>2</sub> molecule dissociates heterolytically into a proton-hydride pair, thereby regenerating the CAl<sub>3</sub>MgH<sub>2</sub> <sup>¯</sup> in the product state. Intrinsic reaction coordinate calculations confirm the true connection between the reactant and product in the reaction pathway. This investigation highlights the potential of the ptC molecule as a catalyst and delineates the way for new opportunities in ptC-based catalysts. Tetracoordinate ; Acetone ; Isopropyl alcohol ; Catalysis ; Molecule ; Carbon fibers ; Alcohol ; Hydrogen Asymmetric Hydrogenation and Catalysis ; Organoboron and organosilicon chemistry ; Hydrogen Storage and Materials
Authors: Charles Izuchukwu Ezekiel | Leonard R. MacGillivray
Source: Frontiers in Chemistry (article, 2026-02-08)
Field: Chemistry — Physical and Theoretical Chemistry

Sublimation aides and abets co-milling and discoloration involving quinhydrone We report an application of co-milling to the binary cocrystal <b>(BZQ)·(HQ)</b> or commonly known as quinhydrone. The co-milling is performed with either <i>trans</i>-bis(4-pyridyl)ethylene <b>(4.4'-BPE)</b> or 4-methoxyaniline <b>(4-MA)</b>. In both cases, the dark green color of <b>(BZQ)·(HQ)</b> in the sample undergoes discoloration with the co-milling. Sublimation of <b>BZQ</b> occurs with dismantling of <b>(BZQ)·(HQ)</b> to allow for formation of the targeted cocrystals <b>(HQ)·(4,4'-BPE)</b> and <b>(HQ)·2(4-MA)</b>. Sublimation (psychology) ; Cocrystal ; Quinhydrone electrode ; Binary number Crystallography and molecular interactions ; Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials
Authors: John Britto Joseph Ignacy | Stanly John Xavier Sinnappan | Subbulakshmi Ganesan | Amrita Pal | Selvi S. | G. Jenita Rani | Senthilkumar Nangan | Jeyabal Vincent | Deepak Verma | Manunya Okhawilai
Source: Frontiers in Materials (article, 2026-01-28)
Field: Chemistry — Organic Chemistry

Eco-friendly synthesis of nanosized Ag and Cu for the catalytic disintegration of 4-nitrophenol An eco-friendly strategy was developed for the preparation of silver and copper nanoparticles using Tecoma stans (TS) flower extract. The synthesized nanostructures exhibited predominantly spherical morphologies, with particle sizes of 9.8 nm and 3.6 nm for silver and copper, respectively. The X-ray diffraction (XRD) analysis confirmed the face-centered cubic (fcc) of the nanoparticles. The catalytic activity of prepared nanoparticles was assessed toward 4-nitrophenol (4-NP) reduction under the presence of NaBH 4 . Compared with sivler nanoparticles, the copper nano catalysts demonstrated excellent catalytic activity achieving rapid conversion of 4-NP to 4-aminophenol (4-AP) with 93.5% catalytic efficiency. Furthermore, the catalysts demonstrated good reusability, and retaining the conversion efficiency of 95% even after five reaction cycles. The environmentally friendly synthesis, high catalytic performance, and recyclability highlight the ability of Ag and Cu nanoparticles for diverse catalytic applications. Catalysis ; Copper ; Nanoparticle ; Nanostructure ; Silver nanoparticle ; Particle (ecology) ; Selective catalytic reduction Nanomaterials for catalytic reactions ; Catalysis for Biomass Conversion ; Multicomponent Synthesis of Heterocycles
Authors: Dipanjana Choudhury | Richard Danylyuk | Alexandros Terzopoulos | Natalie S. Potter | Oren A. Scherman | Jonathan Goodman | Dominic S. Wright
Source: Chemical Science (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Oligomerisation and stereoselective polymerisation of alkenes and alkynes using pyridyl-based Al( <scp>iii</scp> ) catalysts Dealkylation of the dimers [R<sub>2</sub>Al(2-py')]<sub>2</sub> (2-py' = 6-substituted pyridyl, R = Me, <sup>i</sup>Bu) with [Ph<sub>3</sub>C][B(C<sub>6</sub>F<sub>5</sub>)<sub>4</sub>] gives the putative cations [RAl(2-py')<sub>2</sub>(µ-R)AlR]<sup>+</sup> which can polymerise a range of alkenes with a high degree of stereoregularity (syndiotacticity in the case of polystyrene) and which cylotrimerise terminal alkynes to trisubstituted benzenes and a fulvene. This is the first report of stereoslective Al(iii) polymerisation and of the cyclotrimerisation of alkynes by static catalysis using a main group metal. Catalysis ; Stereoselectivity ; Polymerization ; Alkylation ; Alkyne ; Reactivity (psychology) Organoboron and organosilicon chemistry ; Organometallic Complex Synthesis and Catalysis ; Synthesis and characterization of novel inorganic/organometallic compounds
Authors: Burak Kıvrak | Hasan Akyildiz | Oğuzhan Akgöl | Muharrem Karaaslan | Mustafa Akyol
Source: Dalton Transactions (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Broadband microwave absorption in MoS <sub>2</sub> –Co nanocomposites by the synergy of dielectric and magnetic losses The development of light weight materials with high microwave absorption efficiency is critical for advanced stealth and electromagnetic interference applications. Hybrid composites that integrate dielectric and magnetic components offer enhanced attenuation by leveraging multiple loss mechanisms. To explore this potential, we decorated MoS<sub>2</sub> particles with magnetic Co nanoparticles (Co content ranging from 5 to 20 wt%) and systematically investigated their microwave absorption properties over the 2-18 GHz frequency range. The individual materials and hybrid structures were synthesized using a multi-step strategy involving solution-based methods such as hydrothermal synthesis, chemical reduction of reactants, and sonication. Structural, morphological, compositional, and magnetic analyses collectively confirmed the successful incorporation and uniform dispersion of Co within the nanosheets of the MoS<sub>2</sub> host. Meanwhile, the microwave absorption properties revealed a strong dependence on Co content. Notably, the nanocomposite containing 15 wt% Co exhibited superior performance, achieving a minimum reflection loss of -17.17 dB at 13.84 GHz and an ultra-broad effective absorption bandwidth of 7.51 GHz. This performance is attributed to the synergy between the dielectric, magnetic, and morphologically derived mechanisms. Furthermore, the hybrid design enables tunable interactions with incident waves, facilitating broad frequency coverage and enhanced attenuation. Overall, this work demonstrates the effectiveness of MoS<sub>2</sub>-Co nanocomposites and their compatibility with advanced stealth and microwave absorption applications in this frequency range. Microwave ; Nanocomposite ; Broadband ; Dielectric ; Absorption (acoustics) ; Electromagnetic interference Electromagnetic wave absorption materials ; Magnetic Properties and Synthesis of Ferrites ; Pigment Synthesis and Properties
Authors: Siyuan Peng | Xianzheng Zhang | Weifeng Zhang | Ruiting Su | Wenwu Zou | Chenhui Pan | Limin Zhu | Li Du
Source: Molecules (article, 2026-03-05)
Field: Materials Science — Materials Chemistry

Water-Scavenging Suspended Mediator in Electrolytes for Silicon-Based Lithium-Ion Batteries with High-Nickel Cathode Trace amounts of H<sub>2</sub>O are inevitably introduced during lithium battery manufacturing processes, which induces the hydrolysis of LiPF<sub>6</sub>, leading to HF formation, which triggers a cascade of deleterious reactions that degrade the solid electrolyte interphase (SEI) and corrode electrode materials. In this work, a water-scavenging electrolyte was constructed by employing a boroxine-linked covalent organic framework (COF) as the suspended phase. The ring-opening reaction of the boroxine ring units in COFs can effectively capture H<sub>2</sub>O, thereby suppressing the hydrolysis of PF<sub>6</sub><sup>-</sup> and mitigating electrode corrosion caused by HF. Consequently, a Li-metal battery with a high-nickel cathode retained 73% of its initial capacity after 500 cycles at 1 C, and a silicon-based lithium-ion battery with a high-nickel cathode sustained stable cycling over 500 cycles at a high rate of 10 C. This suspension strategy, leveraging a boroxine-linked COF with dual H<sub>2</sub>O-scavenging capability, offers a scalable and versatile platform for electrolyte engineering toward practical next-generation lithium batteries. Electrolyte ; Cathode ; Battery (electricity) ; Electrode ; Organic radical battery ; Lithium (medication) ; Hydrolysis ; Interphase Covalent Organic Framework Applications ; Advanced battery technologies research ; Advanced Battery Materials and Technologies
Authors: Alfredo Aguilar-Elguezabal | A. Reyes-Rojas | Hilda Esperanza Esparza-Ponce | Daniel Lardizábal-Gutiérrez | Miguel Humberto Bocanegra-Bernal
Source: Ceramics (article, 2026-04-02)
Field: Materials Science — Ceramics and Composites

Advances in High-Performance Ceramic Materials for Aerospace and Defence Applications: A State-of-the-Art Review Ceramic materials are indispensable to aerospace and defence technologies, where structural and functional components are required to withstand extreme thermal, mechanical, and chemically aggressive environments. Traditionally valued for their exceptional thermal stability, oxidation resistance, and corrosion resistance, ceramics have nonetheless been constrained by their inherent brittleness, which has limited their widespread adoption in load-bearing structural applications. This review surveys the principal tough ceramic systems currently employed in aerospace and defence, including SiC, Al2O3, ZrO2, Si3N4, SiC/SiC composites, and ultra-high-temperature ceramics (UHTCs) such as ZrB2 and HfB2. In parallel, it outlines advanced processing and manufacturing routes that enable enhanced microstructural control, improved reliability, and scalability for industrial deployment. Special attention is devoted to thermal and environmental barrier coatings (TBCs and EBCs), which provide critical protection against oxidation, corrosion, and severe thermal cycling in propulsion, power-generation, and hypersonic systems. Finally, the review highlights key material selection criteria for aerospace and defence platforms and discusses emerging trends that integrate tough ceramics with next-generation manufacturing technologies, underscoring their pivotal role in enabling high-performance, durable, and resilient systems for future extreme-environment applications. Aerospace ; Ceramic ; Aerospace materials ; Scalability ; Thermal barrier coating ; Principal (computer security) ; Flexibility (engineering) Advanced ceramic materials synthesis ; High-Temperature Coating Behaviors ; MXene and MAX Phase Materials
Authors: Dyah Ellyawati Kusumaningtyas Maharani | Fajar Rakhman Wibowo | Rino Rakhmata Mukti
Source: Journal of Associated Medical Sciences (article, 2026-03-25)
Field: Materials Science — Materials Chemistry

Brief review: Effects of textural properties of lamellar silica in drug delivery applications Background: Silica-based materials, especially those with lamellar morphology, usually have other names, such as dendritic, nanoflower, and wrinkle are often used in various applications due to their unique textural properties, such as radially centered pore structure, pore channels, and large pore volume. Objectives: To determine the effect of lamellar silica texture properties, such as surface area, porosity, pore size, morphological shape, particle size, and surface charge value, as potential drug delivery material candidates. Materials and methods: The texture properties of silica materials were reviewed in drug delivery applications, and four silica materials with different morphologies were reviewed for their texture properties and potential in drug delivery applications. Results: The literature review revealed the effect of material texture properties on their potential in drug delivery applications. Drug loading in porous carriers can improve their activity, stability, and selectivity, and can reduce the drug dose to inhibit cell viability compared to unencapsulated drugs. Surface modification can also affect the zeta potential value and its performance in drug loading. In vitro drug release properties of the material and drug release rates showed different results related to their different texture properties. Particle size affects particle penetration into cells; the smaller the particle size, will cause deeper the penetration, but it has a tendency for particle aggregation. Conclusion: Lamellar silica-based materials with various unique properties of their texture properties show great potential in drug delivery applications and are expected to be used in the future. Lamellar structure ; Drug delivery ; Texture (cosmology) ; Particle size ; Porosity ; Particle (ecology) ; Zeta potential ; Surface finish Mesoporous Materials and Catalysis ; Aerogels and thermal insulation ; Advanced Drug Delivery Systems
Authors: Lu Lu
Source: Molecules (article, 2026-01-30)
Field: Chemistry — Inorganic Chemistry

Synthesis and Applications of Novel Low-Dimensional Nanomaterials in Catalysis Low-dimensional nanomaterials have attracted substantial interest as promising candidates for heterogeneous catalysis thanks to their high density of exposed active sites and abundant unsaturated coordination atoms [...]. Nanomaterials ; Catalysis ; Heterogeneous catalysis ; Synergistic catalysis ; Nanoparticle Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis ; Metal-Organic Frameworks: Synthesis and Applications