jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Daniel B. McHaffie | Jadon Bienz | Son-Jong Hwang | Forrest A. L. Laskowski | Kimberly A. See
Source: ACS Energy Letters (article, 2026-02-24)
Field: Chemistry — Inorganic Chemistry

Substitution of Li <sub>3</sub> BS <sub>3</sub> : Revealing New Superionic Conductor Phases and the Significance of Crystallinity Understanding ion transport in solid Li-ion conductors is critical for developing solid-state batteries with improved safety and energy density. Initial studies of lithium thioborates have demonstrated superionic conductivity in Li<sub>3</sub>BS<sub>3</sub> through substitution and amorphization. However, the mechanisms underlying these improvements remain unclear. Contrary to the hypothesis that conductivity is enhanced by an increase in mobile-carrier concentration, we show that aliovalent substitutions of Cl for S, Al for Li, and Si for B primarily decrease activation energy and increase ionic conductivity by forming noncrystalline phases. Microstructural changes can also independently modify the conductivity by at least an order of magnitude. Our findings highlight the importance of understanding local structure, crystallinity, and microstructure to decouple multiple contributions to ion mobility in solid-state electrolytes. We also report a new crystalline phase with a nominal stoichiometry of Si<sub>0.1</sub>-Li<sub>2.9</sub>B<sub>0.9</sub>S<sub>3</sub>, previously observed as an unidentified precipitate from a glass, which has an ionic conductivity of 1.56 × 10<sup>-3</sup> S cm<sup>-1</sup> at 25 °C. Crystallinity ; Substitution (logic) ; Conductor ; Lithium (medication) ; Fast ion conductor ; X-ray crystallography ; Substitution effect Inorganic Chemistry and Materials ; Rare-earth and actinide compounds ; Advanced Condensed Matter Physics
Authors: Arthur Andreis | Jorge Herrera | Virginie Mouriès‐Mansuy | Cyril Ollivier | Salem Ba Sowid | François Ribot | Louis Fensterbank | Jacinto Sá
Source: Communications Materials (article, 2026-01-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Non-resonant plasmon energy transfer processes for catalysis Abstract How can energy transfer catalysis move beyond fragile molecular light absorbers toward more robust and tunable systems? Here we show that tiny gold nanostructures can act as universal energy donors to activate otherwise inactive gold-based catalysts using light. By introducing a molecular mediator, we demonstrate that the localized energy within the nanoparticles can be passed along through a two-step mechanism, ultimately creating a reactive excited state in the gold complex, even when the light does not directly match its energy levels. Spectroscopic measurements confirm the formation and lifetime of this state and provide clear evidence of successful energy transfer. These results establish how plasmonic materials can drive catalytic reactions through controlled energy flow, opening new opportunities for designing durable and versatile systems for light-driven chemistry. Plasmon ; Catalysis ; Energy transfer ; Excited state ; Energy (signal processing) ; Energy transformation ; Plasmonic nanoparticles ; Nanoparticle Gold and Silver Nanoparticles Synthesis and Applications ; CO2 Reduction Techniques and Catalysts ; Electrocatalysts for Energy Conversion
Authors: Alessia Difino | Barbara Biondi | Annalisa Bisello | Roberta Cardena | Luana Lastella | Marko Šimić | Beatrice Calderaro | Fernando Formaggio | Marzio Rancan | Saverio Santi
Source: Frontiers in Chemical Biology (article, 2026-01-30)
Field: Chemistry — Organic Chemistry

Redox potential fine tuning of ferrocene-peptide conjugates We report the synthesis of new ferrocene (Fc)-peptide conjugates, namely, N-Fc-succinamide-Gly-Ala-OEt, N-Fc-glutaramide-Gly-Ala-OEt, N-Fc-pimelamide-Gly-Ala-OEt, and N-Fc-glutaramide-Gly-Gly-Ala-OEt. They were designed on the base of four components: (i) a Fc unit as an electroactive element; (ii) the linker -NH-CO- to adjust the oxidation potential of Fc towards the physiological conditions; (iii) spacers of different lengths between Fc and the peptide; (iv) a peptide unit to drive Fc to selected biological targets. Fc-peptide conjugates have already been explored as potential anticancer drugs. It is reported that Fc displays the anti-proliferative activity through the production of reactive oxygen species (ROS) as its redox potential (0.40 V vs. SCE) is compatible with the intracellular potential which varies from +0.40 V to −0.44 V. However, the way Fc binds to the peptide significantly influences its redox potential. So far, this issue was not deeply addressed in the literature. Therefore, in this contribution we aimed at investigating the influence of the linker, and of the length of spacer and peptide on the Fc oxidation potential. Noteworthy, we linked Fc to the remaining part of the molecule via an amide bond, but with N-end attached to Fc and not the carbonyl, as reported in the literature so far. The cyclic voltammetry measurements we performed revealed that the transition from an electron-withdrawing (Fc-CO-NH-) to an electron-donating group (Fc-NH-CO-) significantly affects the Fc redox potential. On the contrary, spacer and peptide lengths display a moderate effect. We also carried out a conformational study in the crystal state (X-ray diffraction), and in solution (2D-NMR) on three intermediate molecules. Interestingly, the tripeptide Boc-Gly-Gly-Ala-OEt adopts a β-turn structure in all environments. This finding help to explain its resistance to the enzymatic hydrolysis. Enzymatic degradation tests in human serum were performed on the other conjugates as well, highlighting that the Fc unit acts as a protector of the peptide portion. Redox ; Peptide ; Linker ; Ferrocene ; Cyclic voltammetry ; Conjugate ; Amide ; Electrochemistry Ferrocene Chemistry and Applications ; Metal complexes synthesis and properties ; Synthesis and Reactions of Organic Compounds
Authors: Zhaolun Chen
Source: Scientific journal of intelligent systems research. (article, 2026-03-31)
Field: Materials Science — Materials Chemistry

Developments in Nanomaterials Applied to Biosensing In recent years, the application and development of nanomaterials in the field of biosensors has become a hot topic in scientific research. With their unique physical and chemical properties, such as size effect, surface effect, and quantum effect, nanomaterials provide new research ideas and technical approaches for the development of biosensor technology. This paper systematically overviews the main types of nanomaterials and biosensors, and introduces in detail the preparation methods and key physical properties of various nanomaterials, including plasmonic nanomaterials, carbon-based nanomaterials, metal-organic frameworks, etc. On this basis, this paper focuses on summarizing the latest research progress of nanomaterials in the field of biosensors in recent years, specifically involving four key application directions: disease screening and diagnosis, drug residue detection, material performance optimization, and environmental monitoring. By systematically sorting out and looking forward to the cutting-edge applications of nanomaterials in the field of biosensors, it aims to provide valuable references for researchers in related fields and bring new inspiration to the basic research and application development of nanomaterials in the future. Nanomaterials ; Biosensor ; Field (mathematics) ; Human health Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Electrochemical sensors and biosensors
Authors: Salhah Hamed Alrefaee | Ibrahim S.S. Alatawi | Nada M. Alatawi | Mona Alhasani | Abdullah A. A. Sari | Abdulkarim Albishri | Amal T. Mogharbel | Nashwa M. El-Metwalyc
Source: Arabian Journal of Chemistry (article, 2026-02-23)
Field: Materials Science — Materials Chemistry

Magnetic iron-based MOF immobilized on Sephadex: A reusable catalyst for hydrogen generation and pesticide hydrolysis Development of efficient and reusable catalysts for environmental remediation and clean energy production has gained significant attention. In the current work, the generation of hydrogen gas, as green energy, and pesticide degradation were concurrently performed in the presence of Fe-BDC-NH 2 @Sephadex as an effective recyclable catalyst. Formerly, the Fe-BDC-NH 2 @Sephadex composite was directly synthesized by the in-situ growth of Fe-BDC-NH 2 within the polymeric matrix of Sephadex. The point of innovation in the current approach is to immobilize Sephadex within Fe-BDC-NH₂ to prepare a recyclable composite as a catalyst that can be concurrently exploited in the generation of hydrogen gas and pesticide degradation. Scanning electron microscope (SEM) images reveal that spherical particles of Sephadex macromolecules were fully covered with Fe-BDC-NH 2 particles. Data on catalytic generation of hydrogen proclaimed that the increment in catalyst dose, borohydride concentration, and temperature was accompanied by a significant enhancement in the hydrogen production. After 20 min, the amount of generated hydrogen was raised from 167 to 308 mL by using 10% NaOH. While the volume of generated hydrogen reached 403 mL within 20 min by raising the Fe-BDC-NH 2 @Sephadex dose to 40 mg. The prothiofos hydrolysis was significantly improved in the presence of the Fe-BDC-NH 2 @Sephadex catalyst, and 98.4% of prothiofos was hydrolyzed in 150 min. Catalytic hydrolysis of sodium borohydride and prothiofos was lowered by 19.4% and 9.4% after six reusing hydrolysis cycles, respectively. Fe-BDC-NH 2 @Sephadex showed good stability and reusability against repetitive use cycles in the hydrolysis of sodium borohydride and prothiofos, and can easily separate from the medium by magnet. Sodium borohydride ; Catalysis ; Hydrogen production ; Hydrolysis ; Hydrogen ; Composite number ; Reusability Hydrogen Storage and Materials ; Environmental remediation with nanomaterials ; Electrocatalysts for Energy Conversion
Authors: Lei Cui | Mengzhen Zhang | Qi Wang | Danyang Feng | Lin Lin | Zihao Wang | Jianfeng Liu | Jiangtao Jia | Zheng Bian | Bao-Lian Su | Guangshan Zhu
Source: Chemical Synthesis (article, 2026-03-12)
Field: Materials Science — Materials Chemistry

Porous aromatic frameworks by highly connected building blocks for hydrogen and methane storage The fabrication of porous materials possessing ultrahigh specific surface areas remains a significant challenge. We report the synthesis of two novel porous aromatic frameworks, PAF-336 and PAF-337, constructed from 6- and 8-connected building blocks with triangular prismatic and cuboid geometries, respectively. PAF-336 demonstrates an ultrahigh specific surface area (~5,210 m&lt;sup&gt;2&lt;/sup&gt;·g&lt;sup&gt;-1&lt;/sup&gt;) and large pore volume (3.5 cm&lt;sup&gt;3&lt;/sup&gt;·g&lt;sup&gt;-1&lt;/sup&gt;). This high porosity translates to high hydrogen storage capacity and state-of-the-art methane storage performance, positioning PAF-336 as a potential material for clean energy storage. Porosity ; Hydrogen storage ; Methane ; Hydrogen ; Fabrication ; Volume (thermodynamics) Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Synthesis and Properties of Aromatic Compounds
Authors: Liangliang Wu | Lili Liu | Fengchao Li | Qiang Li | Lingqi Wu
Source: Materials (article, 2026-03-30)
Field: Materials Science — Polymers and Plastics

Low-Power Electrochromic Displays Based on Electrocatalytic Counter Electrodes and PVDF-HFP Gel Polymer Electrolyte Electrochromic devices have emerged as promising candidates for non-emissive displays due to their particular photoelectric performance in complex lighting environments. They exhibit considerable potential in emerging fields such as Internet of Things terminals, flexible wearables and human–computer interaction interfaces. In this study, we developed a low-power electrochromic display based on a Pt/FTO (Fluorine doped tin oxide) electrocatalytic counter electrode and a Poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) porous gel electrolyte. The Pt catalyst enhances Br−/Br3− redox reactivity, which reduces the driving voltage from 2 V to 1 V, and accelerates the electrode reaction kinetics. It is systematically explained by the Density Functional Theory (DFT) calculations and electrochemical characterization. Furthermore, we demonstrate a proof-of-concept multicolor display incorporating the electrocatalytic counter electrode with various viologen derivatives. This approach provides a significant advancement toward next-generation high-performance displays and is supportive of the development of energy-efficient optoelectronic devices. Electrochromism ; Electrode ; Viologen ; Electrolyte ; Auxiliary electrode ; Electrochromic devices ; Electrochemistry ; Prussian blue ; Flexible display Transition Metal Oxide Nanomaterials ; Nanomaterials and Printing Technologies ; Conducting polymers and applications
Authors: Amy L. Gunton | Stephen J. Jenkins
Source: Physical Chemistry Chemical Physics (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Chemical softness as a predictor for reactivity at metal surfaces The problem of identifying and characterising the active sites for heterogeneous catalysis can be addressed by employing descriptors of reactivity, such as the local softness. A new method of calculating the local softness for metal surfaces was recently developed and in the present work has been applied to eighteen flat and stepped metal surfaces. The local softness has been visualised and shown to give insight into the potential reactivity of different sites. A more granular local measure of the softness - the atomic softness - has also been calculated and used to predict CO adsorption trends. Reactivity (psychology) ; Catalysis ; Metal ; Heterogeneous catalysis ; Chemical reaction Machine Learning in Materials Science ; Advanced Chemical Physics Studies ; Catalysis and Oxidation Reactions
Authors: Jafar Fathi | A. Mašláni | M. Hlína | Dawid Janas | Alena Michalcová | David Sedmidubský | Ondřej Jankovský
Source: Research Square (preprint, 2026-02-12)
Field: Materials Science — Materials Chemistry

Electrified synthesis of small-diameter single-walled carbon nanotubes via plasma-catalytic pyrolysis of methane Carbon nanotube ; Methane ; Pyrolysis ; Carbon fibers ; Characterization (materials science) ; Hydrogen Carbon Nanotubes in Composites ; Electrocatalysts for Energy Conversion ; CO2 Reduction Techniques and Catalysts
Authors: Nurfarhana Ahmad Musri | Angella Th’ng | Izzah Hanim Abd Aziz | Ubaidah Syafiq
Source: Frontiers in Electronic Materials (article, 2026-03-24)
Field: Materials Science — Materials Chemistry

Advancements in thin film thermoelectric: progress and perspective on materials and devices Thin film thermoelectric materials have garnered significant attention due to their potential for efficient energy conversion in various applications, ranging from waste heat recovery to wearable electronics to space exploration. This review paper provides a comprehensive overview of recent advancements in thin film thermoelectric materials and devices. The first discusses the fundamental principles governing thermoelectricity and the parameters influencing the thermoelectric performance, such as the Seebeck coefficient, electrical conductivity, and thermal conductivity. Then, it elucidates the unique properties of thin films that make them promising candidates for thermoelectric applications. It then highlights recent developments in novel thermoelectric materials, including conventional inorganic materials such as bismuth telluride, as well as emerging materials like lanthanum (III) telluride. The synthesis methods, including physical vapor deposition, chemical vapor deposition, and solution-based techniques, are further discussed along with their impacts on the structural and electrical properties of thin film thermoelectric materials. The review also highlights recent progress in the fabrication of device and their performances. Finally, future research directions and emerging trends in thin film thermoelectric are outlined to inspire further advancements in this rapidly evolving field. Thermoelectric effect ; Thermoelectric materials ; Thin film ; Electronics ; Thermoelectric cooling ; Thermoelectric generator ; Fabrication Advanced Thermoelectric Materials and Devices ; Chemical and Physical Properties of Materials ; Chalcogenide Semiconductor Thin Films
Authors: Chunshan Hu | Bin Yuan | Sanjida Jahan | Md. Azahar Ali | Rahul Panat
Source: Small (article, 2026-01-20)
Field: Materials Science — Materials Chemistry

MXene 3D‐AJP: Three‐Dimensional Well‐Oriented Freeform Networks of 2D MXene Nanosheets via Aerosol‐Based 3D Printing Next-generation microelectronic devices and energy systems will require fabrication techniques that enable the rapid spatial arrangement of 1D and 2D functional nanomaterials. Arranging atomically thin 2D nanosheets in three-dimensional (3D) space, however, is challenging due to the need for additives or support materials required for their spatial build-up. Here, we report an advanced fabrication technique that can arrange nanometer-thick micron-sized Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene 2D nanosheets in self-supporting three-dimensional structures in a single printing step. This additive-free approach leverages aerosol jet 3D nanoprinting (AJP), where fluid dynamics of rapidly evaporating aerosol droplets is used to achieve precise, support-free, freestanding 3D geometries of 2D nanosheets. A real-time thickening effect during printing and van der Waals interactions between MXene nanosheets are identified as the basis of robust structure formation in 3D, offering a pathway to use 2D materials in device applications. The versatility and impact of this technique are demonstrated by constructing 3D microsupercapacitors (MSCs) with finely patterned 3D MXene electrodes. These devices exhibit a breakthrough areal capacitance of 375 mF·cm<sup>-2</sup> at a current density of 1.5 mA·cm<sup>-2</sup> (equivalent electrode capacitance of 1500 mF·cm<sup>-2</sup>) and an energy density of 11.04 µWh·cm<sup>-2</sup> at a power density of 0.40 mW·cm<sup>-2</sup>. This electrochemical performance far exceeds that of MSCs fabricated by other high-resolution patterning methods. This work paves the way for the use of 2D materials in micron-sized device systems. Fabrication ; Microelectronics ; 3D printing ; van der Waals force ; Electrode ; Capacitance ; Supercapacitor ; Energy storage ; Current density MXene and MAX Phase Materials ; Nanomaterials and Printing Technologies ; Solar-Powered Water Purification Methods
Authors: Punam B. Dube | Yogesh P. Uable | Tukaram S. Saraf | Dilip Garud | K. M. Jadhav
Source: Asian Journal of Chemistry (article, 2026-03-06)
Field: Materials Science — Materials Chemistry

Influence of Calcium Doping on the Structural, Vibrational and Optical Properties of Nickel Ferrite Calcium-doped nickel ferrite (Ni1-xCaxFe2O4, x = 0.00, 0.05, 0.10, 0.15, 0.20) nanoparticles were synthesised using citric acid assisted sol-gel auto combustion method. X-ray diffraction (XRD) analysis confirmed the formation of a cubic spinel structure with single phase. Crystallite size obtained from Scherrer equation is in the range of 21 to 16 nm. An increase in lattice constant from 8.336 to 8.353Å with calcium doping is observed. FTIR spectra indicated typical metal-oxygen bond vibrations with absorption band located near at 600-400 cm–1. Raman spectra revealed significant changes in vibrational modes (T2g(1), Eg, T2g(2), T2g(3) and A1g(1)) due to the calcium doping. Morphological studies using SEM displayed a uniform grain growth with small agglomeration of nanoparticles. Grain size calculated from intercept method was 32.57 nm for bare nickel ferrite and 31.5 nm for Ca doped nickel ferrite (x = 0.10). TEM analysis revealed uniformly shaped nanoparticles, while the corresponding selected area electron diffraction (SAED) patterns confirmed the high crystallinity and phase purity of the synthesized samples. The optical absorption characteristics were examined using UV-Vis spectroscopy and Tauc plot analysis yielded band gap values between 1.74 and 1.78 eV. These findings demonstrate that calcium doping markedly influences the structural, vibrational, morphological and optical properties of nickel ferrite nanoparticles. Crystallite ; Raman spectroscopy ; Analytical Chemistry (journal) ; Ferrite (magnet) ; Spinel ; Nickel ; Doping ; Crystallinity ; Absorption spectroscopy Magnetic Properties and Synthesis of Ferrites ; Pigment Synthesis and Properties ; Chemical and Physical Properties of Materials
Authors: Salim Ahmad | Ved Sharma
Source:  (article, 2026-02-23)
Field: Materials Science — Materials Chemistry

Parameter-Driven Optimization of Displacement Reaction Routes for Controlled ZnS Nanostructure Morphology The controlled synthesis of zinc sulfide (ZnS) nanostructures remains a critical objective in semiconductor research due to their size-dependent optical, electronic, and catalytic properties. This study presents a systematic investigation of parameter-driven optimization in displacement reaction routes for tailoring ZnS nanostructure morphology. Emphasis is placed on the influence of precursor concentration, reaction temperature, pH, solvent polarity, reaction time, and ionic strength on nucleation kinetics and crystal growth pathways. By carefully modulating these parameters, distinct morphological architectures—including nanoparticles, nanorods, nanosheets, and hierarchical assemblies—were reproducibly obtained without the need for complex templating agents. The results demonstrate that precursor supersaturation governs nucleation density, while temperature and pH critically affect anisotropic growth and defect formation. Solvent environment and reaction duration further influence surface energy minimization and aggregation behavior, enabling fine control over crystallite size distribution and structural uniformity. Structural characterization confirms phase purity and controlled crystallinity, while optical analysis reveals morphology-dependent band gap variation attributed to quantum confinement and surface state modulation. The study establishes clear correlations between reaction parameters and final nanostructure morphology, providing a predictive framework for displacement-reaction-based ZnS synthesis. These findings contribute to scalable fabrication strategies for optoelectronic devices, photocatalysis, and sensing applications where morphology-specific performance is essential. Nucleation ; Nanostructure ; Crystallite ; Zinc sulfide ; Nanoparticle ; Band gap ; Surface energy ; Fabrication ; Semiconductor ; Nanocrystal Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Gold and Silver Nanoparticles Synthesis and Applications