jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Amrita Chakraborty | Aaron DiFilippo | Anshu Madwesh | Calvin Hong | Sheena Deivasigamani | Marius Orlowski
Source: Integrated nano. (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Novel approaches to enhance electrical conductivity of nanoscale PEDOT: PSS layers This investigation expands on our earlier work to increase PEDOT:PSS (P-S) electrical conductivity. We explore a variety of methods, such as the use of mono- and multi-atomic layer graphene, the deposition of multiple P-S layers, doping with metal nanoparticles (Ag and Cu), and acid treatment. According to our research, P-S multilayers can be optimally deposited and treated with nitric acid to get better outcomes than those obtained using graphene and metal nanoparticles. When compared to the employment of graphene layers and metal nanoparticles, this optimized method not only improves the electrical conductivity of P-S but also has benefits in terms of cost-effectiveness, greater stability, and decreased mistakes. To achieve these results, optimization parameters including etching time, etchant concentration, and spin speed are essential. In comparison to single-layer P-S of the same thickness, the optimized multilaminar P-S treated with nitric acid results in a significant drop in sheet resistance from over 1 MΩ/sq to 6.85 Ω/sq, which translates to electrical conductivity of 0.17 S/cm to 15,701 S/cm, respectively. In order to reduce dependability problems brought on by environmental factors, we also manage lamina aging. Graphene ; Electrical resistivity and conductivity ; Nanoscopic scale ; Nitric acid ; Layer (electronics) ; Electrical resistance and conductance ; Conductivity ; Etching (microfabrication) Conducting polymers and applications ; Graphene research and applications ; Nanowire Synthesis and Applications
Authors: Tsukasa Irie | Jonas F. Pöhls | Saikat Das | Jin Sakai | Kohki Sasaki | Mika Nozaki | Yu Zhao | Luming Yang | Marina Bennati | Sourav Ghosh | Ranjit Thapa | Roland A. Fischer | R. Thomas Weitz | Qianrong Fang | Yuichi Negishi
Source: Small Science (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

A Redox‐Active Tetrathiafulvalene‐Based 3D Covalent Organic Framework with scu Topology for Controllable Charge Transport Unlike 2D frameworks where conductivity is largely confined to in-plane transport, the <b>scu</b> topology offers 3D conduction pathways that enhance bulk charge mobility. When integrated with redox-active species like tetrathiafulvalene (TTF), the <b>scu</b> architecture promotes electron transfer across the 3D network, enabling tunable conductivity. This article presents the construction of a 3-periodic (4,8)-c covalent organic framework (COF), TU-48, adopting a twofold interpenetrated <b>scu</b> net, achieved through the integration of a tetratopic <i>D</i> <sub>2h</sub>-symmetric rectangular TTF structural motif and an octatopic <i>D</i> <sub>2h</sub>-symmetric quadrangular prism linker. TU-48 exhibits high structural order, well-defined porosity, and redox-responsive electrochemical behavior. The high-connectivity 3D COF configuration ensures effective access to TTF redox centers, enabling controlled iodine oxidation and resulting in electrical conductivities of 4.3 × 10<sup>-6</sup> S cm<sup>-1</sup> at 298 K and 1.8 × 10<sup>-4</sup> S cm<sup>-1</sup> at 393 K. By demonstrating how enhanced structural connectivity in TTF-bridged 3D covalent lattices enables improved charge-transport properties, this research fuels innovation in sustainable energy storage solutions and electronics. Covalent bond ; Tetrathiafulvalene ; Covalent organic framework ; Electrochemistry ; Topology (electrical circuits) ; Metal-organic framework ; Charge (physics) ; Electrode Covalent Organic Framework Applications ; Electrocatalysts for Energy Conversion ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Dipti Shukla
Source: Journal of Materials Science Materials in Engineering (article, 2026-03-13)
Field: Materials Science — Materials Chemistry

Influence of fuel type on the structural and optical properties of Dy3⁺ activated Ba₂MgSi₂O₇ phosphors Abstract This paper presents a comparative study of dysprosium-doped di-barium magnesium disilicate (Ba 2 MgSi 2 O 7 : Dy 3+ ) phosphors. We synthesized these materials using a combustion method, employing two distinct fuels as reducing and stabilizing agents: aloe vera (a biofuel) and urea (an organic fuel). Our investigation involved a comprehensive characterization of these phosphors. We used Powder X-ray Diffraction (PXRD) to confirm the formation of monoclinic phases in both aloe vera and urea-prepared Ba2​MgSi2​O7​: Dy 3+ nanoparticles (NPs). Scanning Electron Microscopy (SEM) provided insights into their morphology, while Fourier Transform Infrared (FTIR) spectroscopy helped analyze their chemical bonds. Crucially, we examined their luminescence properties. The thermoluminescence (TL) and photoluminescence (PL) behavior were studied after exposure to gamma rays. Our findings indicate that aloe vera proved to be the more effective "green" fuel, yielding higher quality Ba 2 MgSi 2 O 7 : Dy 3+ ​ NPs. Optical absorption studies revealed that the bandgap of these Ba 2 MgSi 2 O 7 : Dy 3+ NPs is significantly influenced by the synthesis method and the type of fuel used. Interestingly, the highest bandgap of 4.40 eV was observed for NPs fabricated with urea, while the lowest, 4.20 eV, was found for those prepared with aloe vera. Further Photoluminescence (PL) and Electron Spin Resonance (ESR) analyses confirmed the presence of Schottky and Frenkel surface defects, along with self-trapped excitons and oxygen vacancies, within these Ba 2 MgSi 2 O 7 : Dy 3+ NPs. The TL glow curves of Ba 2 MgSi 2 O 7 : Dy 3+ phosphors (with 1–4 mol% doping) showed distinct thermally activated trap centers depending on the fuel. Urea-based phosphors exhibited a TL glow curve with two peaks at 368.29 K and 563.93 K, whereas samples prepared with aloe vera gel displayed more intense peaks at a higher temperature of 375.35 K and 572.16 K. This suggests that aloe vera-derived phosphors possess enhanced trap depths and greater TL sensitivity. Finally, the phosphors demonstrated low fading behavior, a critical characteristic that confirms their promising suitability for various dosimetric applications. Graphical abstract Photoluminescence ; Phosphor ; Monoclinic crystal system ; Thermoluminescence ; Luminescence ; Band gap ; Scanning electron microscope ; Fourier transform infrared spectroscopy ; Electron paramagnetic resonance Luminescence Properties of Advanced Materials ; Microwave Dielectric Ceramics Synthesis ; Glass properties and applications
Authors: Abdalla Obeidat | Haneen Al-Shohah | Abeer Alrousan | Khaled Aledealat
Source: Research Square (preprint, 2026-01-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

First-Principles Calculations of the Effect of Substitutional Defects in Mn2CoV1-xScx (x = 0, 0.25, 0.50, 0.75, 1) Full Heusler Alloys Using Density Functional Theory and Monte Carlo Simulations Ferromagnetism ; Density functional theory ; Paramagnetism ; Spintronics ; Magnetic moment ; Monte Carlo method ; Curie temperature ; Band gap Heusler alloys: electronic and magnetic properties ; Advanced Thermoelectric Materials and Devices ; Thermal Expansion and Ionic Conductivity
Authors: L. T. Melato | Erence Nkuna | Vusani M. Maphiri | Daniel Wamwangi | R.O. Ocaya | O.M. Ntwaeaborwa
Source: Nanomaterials (article, 2026-03-02)
Field: Materials Science — Materials Chemistry

Influence of Mg Concentration on Overall Performance of APTES–ZnO/PANI Hybrids Flexible UV Photodetectors Zinc oxide (ZnO) nanoparticles combined with conducting polymers such as polyaniline (PANI) demonstrate promising potential in flexible ultraviolet (UV) photodetection applications. However, the overall performance of undoped ZnO in photodetectors is often limited by high dark current, low responsivity, and detectivity, attributable to the high density of intrinsic defects and recombination rates. This study was aimed at evaluating the influence of magnesium (Mg) concentration (0.5≤x≤3.0% mol) on the structural and optical properties of 3-aminopropyltriethoxysilane (APTES)-modified ZnO/PANI hybrid matrix for ultraviolet (UV) photodetector applications. The novelty of this work lies in the dual strategy of Mg doping and surface modification intended to tailor the optoelectronic properties of ZnO nanoparticles (NPs). X-ray diffraction analysis confirmed the formation of a single-phase wurtzite ZnO. Photoluminescence measurements revealed a significant increase in photoemission intensity with increasing Mg concentration up to a maximum 2.0% mol. Incorporation of Mg remarkably modified the surface morphology and topography of the ZnO/PANI thin film, demonstrating an increase in both surface area and roughness. The Mg-ZnO/PANI photodetector with 1.0% mol of Mg doping concentration demonstrated excellent performance, with responsivity of 2.34 × 10<sup>-2</sup> A/W and detectivity of 1.56 × 10<sup>10</sup> Jones. The effect of Mg doping concentration on the photoemission and photodetection is discussed in detail. Photodetection ; Responsivity ; Photodetector ; Photoluminescence ; Ultraviolet ; Doping ; Specific detectivity ; Wurtzite crystal structure ZnO doping and properties ; Conducting polymers and applications ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Mohamed Faoussi | Bouazza Tbib | Zakaria Kbiri | Adil Bardane | Jyoti Gaur | Sanjeev Kumar | Scutaru Maria Luminița | Radu Muntean
Source: Buildings (article, 2026-04-02)
Field: Chemistry — Inorganic Chemistry

Synthesis and Characterization of Eco-Friendly Clay Nanomaterials Doped with Co2P2O7 for Sustainable Construction By examining a novel nanomaterial that has been modified for use in sustainable construction, this study primarily responds to the growing need for environmentally acceptable materials. The primary goal was to improve the functional and aesthetic qualities of building materials by synthesizing and characterizing environmentally friendly clay-based nanomaterials doped with cobalt pyrophosphate (Co2P2O4). The authors employed contemporary experimental methods, such as scanning electron microscopy (SEM) for morphological characterisation, Fourier transform infrared spectroscopy (FT-IR) for molecular bonding assessment, and X-ray diffraction (XRD) for crystal structure research. The published findings show the doped nanomaterials’ potential durability as well as their structural integrity. An economic assessment is part of the investigation. The study is noteworthy for emphasizing the potential of cobalt-doped pyrophosphate nanoparticles as eco-friendly colour pigments for construction materials made of clay. Nanomaterials ; Characterization (materials science) ; Environmentally friendly ; Fourier transform infrared spectroscopy ; Durability ; Scanning electron microscope ; Doping Pigment Synthesis and Properties ; Clay minerals and soil interactions ; Adsorption and biosorption for pollutant removal
Authors: Yafei Zhao | Qiurui Ma | B. Ge | Liang He
Source: Physica Scripta (article, 2026-02-02)
Field: Materials Science — Materials Chemistry

Modulation of the electronic structure of monolayer MoS <sub>2</sub> by main-group metal doping and the mechanism of enhanced photocatalytic performance Abstract In this work, based on first-principles study, elucidates the regulatory mechanism of IIIA–VA group metal (IIIA: Al, Ga, and In; IVA: Ge, Sn, and Pb; VA: Sb and Bi) doping on the photocatalytic activity of monolayer MoS 2 . Binding energy and molecular dynamics simulations confirm that IIIA–VA group metal elements can be stably anchored at Mo vacancy sites. Such doping introduces holes into the system, induces rearrangement of surface charge, and further leads to the formation of impurity levels within the band gap. It modulates the charge density distribution of the conduction band minimum and valence band maximum across different atoms, and alters the surface electrostatic potential. These changes effectively suppress the recombination of photogenerated carriers, increase the number of catalytic active sites, reduce the work function, thereby facilitating electron transfer and enhancing optical absorption capability. Therefore, IIIA–VA group metal doping serves as an effective strategy for improving the photocatalytic performance of MoS 2 and provides a theoretical foundation for the design of novel and efficient MoS 2 -based photocatalysts. Doping ; Monolayer ; Photocatalysis ; Metal ; Electronic structure ; Density functional theory ; Vacancy defect ; Electron ; Electron transfer ; Impurity 2D Materials and Applications ; Advanced Photocatalysis Techniques ; Catalysis and Hydrodesulfurization Studies
Authors: Worood Kamil Shalash Al Maliky | Jalal Hasan Mohammed | Mohamednoruldin Dh Hazim
Source: F1000Research (article, 2026-03-02)
Field: Materials Science — Materials Chemistry

Green biosynthesized silver nanoparticles using aqueous extract of Salix alba: antimicrobial and cytogenetic effects on mitosis <ns3:p> Background Green synthesis of silver nanoparticles (AgNPs) using plant extracts has gained increasing attention as an environmentally friendly alternative to conventional chemical methods. <ns3:italic>Salix alba</ns3:italic> contains bioactive phytochemicals that can act as reducing and stabilizing agents during nanoparticle synthesis. This study aimed to synthesize AgNPs using an aqueous bark extract of <ns3:italic>S. alba</ns3:italic> and to evaluate their antimicrobial and cytogenetic effects. Methods Silver nanoparticles were synthesized by mixing <ns3:italic>S. alba</ns3:italic> aqueous extract with silver nitrate solution. Nanoparticle formation and surface characteristics were assessed using ultraviolet visible spectroscopy, atomic force microscopy (AFM), and scanning electron microscopy (SEM). Antimicrobial activity against <ns3:italic>Escherichia coli</ns3:italic> , <ns3:italic>Staphylococcus aureus</ns3:italic> , and <ns3:italic>Candida albicans</ns3:italic> were evaluated using the agar well diffusion method. Cytogenetic effects were assessed in mice bone marrow cells by measuring the mitotic index. Results AFM and SEM analyses showed that AgNP size and morphology varied with silver nitrate concentration, with smaller and more uniform nanoparticles observed at lower concentrations. The synthesized AgNPs exhibited antimicrobial activity against all tested microorganisms, with inhibition zones increasing in a dose dependent manner. Cytogenetic analysis demonstrated a significant reduction in mitotic index in AgNP treated groups at higher concentrations, while <ns3:italic>S. alba</ns3:italic> extract alone did not induce genotoxic effects and maintained normal or slightly elevated mitotic index values. Conclusions <ns3:italic>Salix alba</ns3:italic> mediated silver nanoparticles demonstrated antimicrobial activity and concentration dependent on cytogenetic effects. These findings indicate the importance of careful dose optimization when considering biologically synthesized AgNPs for potential applications. </ns3:p> Silver nanoparticle ; Antimicrobial ; Silver nitrate ; Mitotic index ; Nanoparticle ; Aqueous solution ; Mitosis ; Agar ; Agar diffusion test Nanoparticles: synthesis and applications ; Plant tissue culture and regeneration ; Transgenic Plants and Applications
Authors: Xuri Rao | Jianrui Wang | Xiao‐Bo Tan | Rui‐Heng Li | Huangshui Ma | Yu Yin | Fan Feng | Pingan Song | Min Hong | Jiaqing He | Ran Ang
Source: Advanced Energy Materials (article, 2026-02-12)
Field: Materials Science — Materials Chemistry

Dual Band Optimization and Defect Engineering Enable Ultrahigh Thermoelectric Performance in Filled Skutterudites ABSTRACT Skutterudites are promising thermoelectric candidates for medium‐temperature energy conversion owing to their excellent mechanical strength and thermal stability, yet their practical deployment is hindered by their moderate thermoelectric performance. Herein, we report a synergistic optimization of the electronic band structure and phonon scattering in Yb‐filled skutterudites through simultaneous indium filling and Te doping. This dual strategy delivers an exceptional figure of merit ( zT ) of ∼1.72 at 773 K, arising from a high power factor of 5.63 mW m −1 K −2 and a markedly suppressed total thermal conductivity of 2.23 W m −1 K −1 . First‐principles calculations reveal that In filling and Te doping cooperatively converge electronic bands, thereby enhancing electrical transport, while advanced electron microscopy uncovers the formation YbTe nanoprecipitates and associated lattice distortions that intensify phonon scattering. A 7‐pair single‐stage thermoelectric device fabricated from the optimized materials achieves an ultra‐high energy conversion efficiency of 8.2% under a temperature difference of 380 K. These findings establish a clear structure‐property‐performance correlation and provide a versatile strategy for propelling skutterudites toward high‐efficiency, device‐level applications. Thermoelectric effect ; Thermoelectric materials ; Figure of merit ; Energy conversion efficiency ; Phonon scattering ; Seebeck coefficient ; Indium ; Doping Advanced Thermoelectric Materials and Devices ; Topological Materials and Phenomena ; Heusler alloys: electronic and magnetic properties
Authors: Yiyuan Zhang | Chen Zhou | Xia Li | Evgeny Kovtunets
Source: Chemosensors (article, 2026-03-12)
Field: Chemistry — Spectroscopy

A New Acridine-Based Fluorescent Sensor for the Detection of CN− A novel acridine-based fluorescent sensor (Sensor ANT) for the highly selective and sensitive detection of cyanide ions (CN−) was rationally designed and synthesized via the conjugation reaction of acridine-9-amine with 3-nitrophenyl isothiocyanate. The sensing mechanism is triggered by the specific interaction between exogenous CN− and the hydrogen-bonding moieties within the sensor’s molecular framework, which induces a distinct fluorescence quenching response. Systematic titration experiments confirmed that Sensor ANT exhibits rapid response kinetics, excellent selectivity, and reliable qualitative/quantitative detection capabilities toward CN−. Complementary biocompatibility assays, including in vitro cellular imaging and in vivo zebrafish experiments, further verified the promising application potential of this sensor in practical and biological detection scenarios. The detection limit (DL) of Sensor ANT for CN− was calculated to be 2.89 × 10−7 M, with a 1:1 binding stoichiometry and a binding constant of 1.95 × 104 M−1. These findings demonstrate that Sensor ANT represents a robust candidate for CN− detection in environmental and biological systems. Fluorescence ; Titration ; Detection limit ; Quenching (fluorescence) ; Biocompatibility ; In vivo ; Cyanide Molecular Sensors and Ion Detection ; Cassava research and cyanide ; Sulfur Compounds in Biology
Authors: Diandra Doppler | Alice Grieco | Domin Koh | Abhik Manna | Adil Ansari | Roberto C. Alvarez | Konstantinos Karpos | Hung Le | Mukul Sonker | Gihan Ketawala | Samira Mahmud | Isabel Quereda-Moraleda | S. Şen | Ángel L. Pey | Romain Letrun | Katerina Dörner | Jayanath Koliyadu | Raphaël de Wijn | Johan Bielecki | Huijong Han | Chan Kim | Faisal H. M. Koua | A. Round | Abhisakh Sarma | T. Sato | Christina Schmidt | Mohammad Vakili | Dmitrii Zabelskii | R. Bean | Adrian P. Mancuso | Joachim Schulz | Raimund Fromme | Milagros Medina | Thomas D. Grant | Petra Fromme | Richard A. Kirian | Sabine Botha | Jose Manuel Martin-Garcia | Alexandra Ros
Source: Communications Chemistry (article, 2026-01-29)
Field: Materials Science — Materials Chemistry

Minimized sample consumption for time-resolved serial crystallography applied to the redox cycle of human NQO1 Sample consumption for serial femtosecond crystallography with X-ray free electron lasers remains a major limitation preventing broader use in macromolecular crystallography. This drawback is exacerbated in time-resolved (TR) experiments, where the amount of sample required per reaction time point is multiplied by the number of time points investigated. To reduce this limitation, we demonstrate a segmented droplet generation strategy coupled to a mix-and-inject approach for TR studies at the European XFEL. The injector produces synchronized droplet trains that enable stable and reproducible injection of protein crystal slurries at significantly reduced flow rates. Using the human flavoenzyme NAD(P)H:quinone oxidoreductase 1 (NQO1) as a test system, we collected diffraction data after mixing with NADH at 0.3 s and 1.2 s delays. The segmented injection approach achieved up to 97% reduction in sample consumption compared with continuous-flow injection while maintaining data quality suitable for TR crystallography. Reproducible electron density features consistent with low-occupancy NADH binding illustrate both the feasibility and the current limits of studying dynamic redox enzymes using this approach. This work establishes segmented droplet generation as a sample-efficient and XFEL-compatible method for future time-resolved serial crystallography experiments. Femtosecond ; Protein crystallization ; Redox ; Sample (material) ; Analytical Chemistry (journal) ; Oxidoreductase ; Diffraction ; Laser ; Kinetics Enzyme Structure and Function ; Biochemical and Molecular Research ; Protein Structure and Dynamics
Authors: Ya Yang | Ying Zhang | Z. Chen | Pengju Han | Shuailiang Chen | Chong Hua | Yi Zheng | Hongwei Ming | Naifeng Zhuang | Zhong‐Zhen Luo | Zhigang Zou
Source: Science Advances (article, 2026-03-13)
Field: Materials Science — Materials Chemistry

Reduced multiplicity of crystallographic sites for superior thermoelectric performance of cubic Cu <sub>6</sub> GeTeS <sub>4</sub> via chemical tailoring Argyrodites have garnered substantial interest as ultralow lattice thermal conductivity (κ<sub>lat</sub>) materials. However, their development is constrained by poor thermal stability and inferior thermoelectric performance. Here, a cubic argyrodite compound, Cu<sub>6</sub>GeTeS<sub>4</sub>, was successfully synthesized via a chemical-tailoring strategy. Moreover, a strong correlation between the multiplicity of crystallographic sites and ion mobility was found. The reduced multiplicity of Cu crystallographic sites leads to superior thermal stability compared to Cu<sub>8</sub>GeS<sub>6</sub>, which undergoes a phase transition from orthorhombic to cubic. The weak Cu─S/Te chemical bonds and cage-like [TeCu<sub>18</sub>]<sup>16+</sup> vibrations at low frequencies lead to intrinsically ultralow κ<sub>lat</sub> ~ 0.47 to 0.35 W m<sup>-1</sup> K<sup>-1</sup> and realize the maximum <i>ZT</i> (<i>ZT</i><sub>max</sub>) of ~0.62 for Cu<sub>6</sub>GeTeS<sub>4</sub>. By introducing S deficiencies, the Cu<sub>6</sub>GeTeS<sub>3.82</sub> obtained an excellent peak <i>ZT</i><sub>max</sub> of 1.23 at 925 K with an ultralow κ<sub>lat</sub> of ~0.25 W m<sup>-1</sup> K<sup>-1</sup>. This study presents high-performance thermoelectrics and provides insights to the design of liquid-like systems. Orthorhombic crystal system ; Multiplicity (mathematics) ; Thermoelectric effect ; Thermal stability ; Thermoelectric materials ; Lattice (music) ; Lattice vibration ; Phase transition Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; Copper-based nanomaterials and applications
Authors: Juniastel Rajagukguk | Jonny Haratua Panggabean | Juniar Hutahaean | Howard Situmorang | Elyzabeth Simanullang
Source:  (article, 2026-01-01)
Field: Materials Science — Ceramics and Composites

Structural Properties of Gd3+/Eu3+ Double Doped in Calcium Phosphate Glass System Based on “Huta Ginjang” Quartz Sand Quartz sand (Quartz Sand-QS) is an abundant natural material in Indonesia, specifically in Huta Ginjang, North Sumatra Province. This material has great potential as a basic material for the development of glass systems for medical imaging (X-ray imaging) applications. Synthesis and preparation of H Quartz ; Doping ; Calcium ; Borosilicate glass ; Fused quartz ; Raw material Glass properties and applications ; Luminescence Properties of Advanced Materials ; Magnesium Oxide Properties and Applications