jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: F. Pinakidou | A. Delimitis | M. Katsikini
Source: Nanomaterials (article, 2025-07-03)
Field: Materials Science — Materials Chemistry

Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn Thermoelectrics The nanostructural features of a mechanically alloyed Sb-doped (Ti<sub>0.4</sub>Zr<sub>0.6</sub>)<sub>0.7</sub>Hf<sub>0.3</sub>NiSn thermoelectric (TE) Half-Heusler (HH) compound were addressed using Transmission Electron Microscopy (TEM) coupled with Energy Dispersive Spectroscopy measurements and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The EXAFS measurements at the Ni-<i>K</i>, Sn-<i>K,</i> Zr-<i>K,</i> and Hf-<i>L</i><sub>3</sub>-edge were implemented in an effort to reveal the influence of Hf and Zr incorporation into the crystal with respect to their previously measured TE properties. The substitution of Ti by Hf and Zr is expected to yield local lattice distortions due to the different atomic sizes of the dopants or/and electronic charge redistribution amongst the cations. However, the material is characterised by a high degree of crystallinity in both the short and long-range order, on average, and the nominal stoichiometry is identified as (Zr<sub>0.42</sub>Hf<sub>0.30</sub>Ti<sub>0.28</sub>)NiSn<sub>0.98</sub>Sb<sub>0.02</sub>. The synergistic effect of minimization of extended structural defects or lattice distortions and considerable alloying-induced point defect population contributes to the improved TE properties and leads to the previously reported enhancement of the figure of merit of the mixed HHs. Materials science ; Doping ; Thermoelectric materials ; Thermoelectric effect ; Metallurgy ; Condensed matter physics ; Thermal conductivity ; Optoelectronics ; Composite material ; Thermodynamics ; Physics Advanced Thermoelectric Materials and Devices ; Heusler alloys: electronic and magnetic properties ; Chalcogenide Semiconductor Thin Films
Authors: L. Cichetto | Carlos Doñate‐Buendía | Marı́a Teresa Flores-Arias | María Aymerich | João Paulo de Campos da Costa | Eloísa Cordoncillo | João Carmo | Oswaldo Hideo Ando | Héctor Beltrán‐Mir | Juán Andrés | Elson Longo da Silva | Adenilson J. Chiquito
Source: Inorganics (article, 2025-09-02)
Field: Materials Science — Materials Chemistry

Electrical Resistivity Control for Non-Volatile-Memory Electrodes Induced by Femtosecond Laser Irradiation of LaNiO3 Thin Films Produced by Pulsed Laser Deposition In this work, we investigated how the electrical resistivity of LaNiO3 thin films deposited on SrLaAlO4 (100), LaAlO3 (100), and MgO (100) single-crystal substrates by the pulsed laser deposition (PLD) technique can be controlled by femtosecond laser irradiation. Thin films were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (SEM-EDS), and temperature-dependent electrical resistivity measurements. The XRD data indicated good crystallinity and preferential crystallographic orientation. The electronic transport parameters of irradiated samples showed a remarkable decrease in the electrical resistivity for all studied films, which ranged from 38% to 52% depending on the temperature region considered and the type of substrate used. The results indicate a new and innovative route to decrease the electrical resistivity values in a precise, controlled, and localized manner, which could not be performed directly by well-known growth processes, allowing for direct application in non-volatile-memory electrodes. Electrical resistivity and conductivity ; Materials science ; Irradiation ; Femtosecond ; Pulsed laser deposition ; Electrode ; Laser ; Thin film ; Deposition (geology) ; Optoelectronics ; Composite material ; Nanotechnology ; Optics ; Electrical engineering ; Chemistry Electronic and Structural Properties of Oxides ; Advanced Memory and Neural Computing ; Photorefractive and Nonlinear Optics
Authors: Pasant T. Elbanna | Mohamed A. Hammad | Inas A. Abdallah | Matteo Locatelli | Fotouh R. Mansour
Source: Analytica—A Journal of Analytical Chemistry and Chemical Analysis (article, 2025-12-23)
Field: Chemistry — Spectroscopy

Propylene Glycol as a Promising Eluent in Green Reversed Phase Liquid Chromatographic Separation of Ascorbic Acid and Glutathione in Effervescent Tablets Exploring green organic solvents is a global demand. Most of the currently used solvents pose some concerns regarding environmental sustainability and occupational health risks. In this work, propylene glycol was employed for the first time as a green solvent for mobile phase preparation in the reversed phase chromatographic separation of a mixture of two antioxidants, glutathione and ascorbic acid. The slight viscosity of propylene glycol was manipulated by using water as a co-fluidizing agent to facilitate pumping. Method optimization was performed using factorial design experimental Expert 13® Software (Minneapolis, MN, USA) to achieve the maximum resolution and the minimum run time. The reported method was properly validated according to the International Conference on Harmonization criteria at the linearity range of 1–500 µg/mL, with acceptable accuracy and precision for both drugs. The method was effectively applied for the quantification of both drugs in their commercial pharmaceutical formulation. The proposed method was assessed for environmental and operator safety by means of global tools like AGREE and MoGAPI and has proved high degrees of greenness. Propylene glycol has several benign properties, such as low volatility, less toxicity, compatibility with UV detectors and very low flammability, that will soon assemble it as a promising alternative for the conventionally used solvents. Polyvinyl alcohol ; Ascorbic acid ; Solvent ; Reversed-phase chromatography ; Factorial experiment ; Glutathione ; Phase (matter) Analytical Chemistry and Chromatography ; Protein purification and stability ; Analytical Methods in Pharmaceuticals
Authors: Silvio Poppe | Changlong Chen | Yu Cao | Feng Liu | Carsten Tschierske
Source: Small Science (article, 2025-05-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

From Columns to Networks: Search toward the Elusive Single Gyroid with <i>π</i>‐Shaped Polyphilic Liquid Crystalline Block Molecules Polyphilic block molecules form a wide range of new liquid crystalline (LC) phases with complex morphologies on a nanometer scale. Herein the soft self-assembly of <i>π</i>-shaped <i>p</i>-terphenyl-based bolapolyphiles having two adjacent aliphatic side chains at the central benzene ring (catechol dialkyl ethers) is reported with a focus on the design of single-network structures. Depending on the length of the side chains and temperature a series of polygonal honeycombs, a zeolite-like LC, a lamellar phase, and two segmented network phases with cubic symmetry is found. In these networks self-assembled glycerol spheres, forming the junctions, are interconnected by coaxial <i>p</i>-terphenyl bundles. Upon side-chain elongation, a double-gyroid phase with three-way junctions is replaced by the single diamond having a four-way junction network. However, the single gyroid supposed to be formed by further side-chain expansion could not be observed; instead, the LC self-assembly breaks down completely. It is hypothesized that the formation of single-network phases by bottom-up self-assembly in soft matter systems requires a minimum junction valence of at least 4 to stabilize the networks. Gyroid ; Materials science ; Lamellar structure ; Mesophase ; Diamond ; Crystallography ; Self-assembly ; Side chain ; Phase (matter) ; Molecule ; Chemical physics ; Liquid crystal ; Nanotechnology ; Copolymer ; Chemistry ; Composite material ; Organic chemistry ; Polymer Liquid Crystal Research Advancements ; Pickering emulsions and particle stabilization ; Surfactants and Colloidal Systems
Authors: Sarah Salloum | Juliana Rüther | Zeliha Çelik | Christoph Janiak
Source: Nanoscale (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Comparative analysis of synthesis techniques for citrate-capped gold nanoparticles: insights into optimized wet-chemical approaches for controlled morphology and stability Gold nanoparticles (AuNPs) hold immense potential in biomedical and technological applications due to their unique optical and physicochemical properties. While several studies have compared selected citrate-based AuNP synthesis methods, a comprehensive, side-by-side evaluation of multiple widely used protocols-tested both under their literature-reported conditions and under fully standardized parameters-remains limited. This study presents a systematic comparison of six wet-chemical synthesis techniques-including the classical Turkevich-Frens, reverse Turkevich-Frens, Slot-Geuze-based approaches, and both standard and reverse Natan reductions. By controlling key parameters-such as citrate-to-gold ratio and reagent addition sequence-we investigated how these factors influence particle size, shape, monodispersity, and colloidal stability. Among the methods tested, the reverse Turkevich-Frens technique reliably yielded the most monodisperse AuNPs (7-14 nm), while the rNR and rSG methods enabled the formation of ultrasmall AuNPs (2-6 nm) when paired with elevated citrate concentrations. These findings highlight the synergistic effects of citrate availability and reagent addition sequence in tuning AuNP properties. This work provides a robust comparative framework for selecting optimized synthesis methods of citrate-capped AuNPs and lays the foundation for surface functionalization and stabilization using biocompatible polymers in future studies. Reagent ; Dispersity ; Colloidal gold ; Surface modification ; Nanoparticle ; Polymer ; Template Gold and Silver Nanoparticles Synthesis and Applications
Authors: Qingqing Mei | Wenyuan Huang | Longfei Lin | Xue Han | Shaojun Xu | Bing An | Svemir Rudić | Rongsheng Cai | Sarah J. Haigh | Buxing Han | Martin Schröder | Sihai Yang⧫
Source: Angewandte Chemie International Edition (article, 2025-11-20)
Field: Chemistry — Inorganic Chemistry

Selective Reductive Amination of Carbonyls to Primary Amines Under Ambient Conditions Over Rh/MFM‐300(Cr) The synthesis of organic amines via reductive amination of biomass-derived carbonyl compounds is an important target for sustainable chemical industries. The control of selectivity for the formation of primary amines versus secondary amines is challenging, and high temperature and pressures using H<sub>2</sub> are required to generate the desired selectivity. Herein, we report the highly selective reductive amination of a broad range of aldehydes and ketones by NH<sub>3</sub> and H<sub>2</sub> over Rh/MFM-300(Cr) to form primary amines with a selectivity of up to 99% under ambient conditions. Inelastic neutron scattering reveals that the Rh species not only promote the hydrogenation process, but also catalyzes the ammonolysis of the Schiff base intermediate, facilitating the selective synthesis of primary amines. This protocol achieves selective reductive amination at 25 °C and 1 atm, providing an energy-efficient route to a broad spectrum of amines. Reductive amination ; Primary (astronomy) ; Selectivity ; Amination ; Reducing agent ; Base (topology) Asymmetric Hydrogenation and Catalysis ; Organoboron and organosilicon chemistry ; Carbon dioxide utilization in catalysis
Authors: Pu Yang | Jing Ma | Kai Yang | Daotong Zhang | Penghui Zhu | Weimin Chen | Xiaotao Bi | Feng Jiang
Source: Small (article, 2025-04-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Phase Diagram‐Guided Molten Salt Engineering of Biocarbon Pores at Low Temperatures Pore structure engineering of biocarbon is crucial for enhancing its performance. Herein, a phase diagram-guided molten salt activation method is systematically developed to prepare biocarbon with a tunable pore structure at low temperature (500 °C). This strategy incorporates key activation variables on the phase diagram of binary salts, including salt type, ratio, phase partition, and operating temperature. Among various salts, ZnCl<sub>2</sub> with a low melting point (≈290 °C) is selected as the "pioneering" primary salt to swell biomass precursor and create porous channels conducive to the ion diffusion of secondary salts. Based on the liquid-solid equilibrium curve, specific amounts of secondary salts can be dissolved into molten ZnCl<sub>2</sub>, facilitating the delivery of secondary salt ions to the inner active sites. The carefully selected secondary salts with varied solubility, reactivity, and ionic sizes further enhance pore creation (reaching a specific surface area of 2491 m<sup>2</sup> g<sup>-1</sup>) and regulate pore sizes by catalytic reactions and pore filling. The understanding of the underlying ion diffusion and pore evolution mechanism (formation, growth, and stabilization) in binary molten salt systems provides a unique and versatile guide for producing biocarbon with tunable pore structure at low temperatures, supporting applications including energy storage and carbon capture. Molten salt ; Phase diagram ; Chemical engineering ; Diffusion ; Melting point ; Salt (chemistry) ; Ionic liquid ; Materials science ; Solubility ; Porosity ; Phase (matter) ; Chemistry ; Inorganic chemistry ; Catalysis ; Organic chemistry ; Thermodynamics ; Composite material Supercapacitor Materials and Fabrication ; Catalysis for Biomass Conversion ; Advanced Battery Materials and Technologies
Authors: Mohamed Salaheldeen | V. Zhukova | J.M. Blanco | J. González | А. Zhukov
Source: Preprints.org (preprint, 2025-04-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advances in the Fabrication and Magnetic Properties of Heusler Alloy Glass-Coated Microwires with high Curie Temperature This review article provides an in-depth analysis of recent advancements in the fabrication, structural characterization, and magnetic properties of Heusler alloy glass-coated microwires, focusing on Co₂FeSi alloys. These microwires exhibit unique thermal stability, high Curie temperatures, and tunable magnetic properties, making them suitable for a wide range of applications in spintronics, magnetic sensing, and biomedical engineering. The review emphasizes the influence of geometric parameters, annealing conditions, and compositional variations on the microstructure and magnetic behavior of these materials. Detailed discussions on the Taylor-Ulitovsky fabrication technique, X-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM) provide insights into the structural properties of the microwires. The magnetic properties, including room-temperature behavior, temperature dependence, and the effects of annealing, are thoroughly examined. The potential applications of these microwires in advanced spintronic devices, magnetic sensors, and biomedical technologies are explored. The review concludes with future research directions, highlighting the potential for further advancements in the field of Heusler alloy microwires. Curie temperature ; Materials science ; Fabrication ; Alloy ; Condensed matter physics ; Curie ; Curie constant ; Ferromagnetism ; Curie–Weiss law ; Metallurgy ; Medicine ; Physics Heusler alloys: electronic and magnetic properties ; Wireless Power Transfer Systems
Authors: Ανδρέας Σεργίδης | Catherine Amiens | Sergio Gómez‐Graña | Antonios Makridis | Liudmyla Storozhuk | Stefanos Mourdikoudis | Nguyễn Thị Kim Thanh
Source: Nanoscale (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

A parametric study on CoFe-based ferrite and alloy nanoparticle synthesis Magnetic nanoparticles (MNPs) have received great attention over the last two decades thanks to their potential uses in various application fields such as high-density recording media, magnetic separation and biomedicine. In this work we focus on the exploratory synthesis of cobalt ferrite and iron-cobalt NPs through thermal decomposition wet-chemical pathways. Several parameters were examined in order to elucidate their impact on the composition, morphology and magnetic behaviour of the produced nanomaterials. A range of metallic precursor types is first investigated, with a subsequent focus on the case of acetylacetonate salts. In addition, the reduction of CoFe<sub>2</sub>O<sub>4</sub> to FeCo by employing a salt-matrix annealing stage is explored. Polyol and H<sub>2</sub>-mediated methods are utilized to prepare FeCo alloy NPs in a direct manner. Multi-core nanostructures were also synthesized, and they are very promising for magnetic resonance imaging (MRI) and magnetic hyperthermia (MH) applications. The post-synthesis thermal treatment helped to convert ferrites to an iron-cobalt alloy, with the expense of significant particle size increase and aggregation. Alloy particles formed in a one-pot synthesis by polyol routes had a >100 nm size and hexagonal shape, while hydrogen-assisted reduction led to monodisperse ∼30 nm NPs with remarkable MH properties. Alloy ; Materials science ; Nanoparticle ; Ferrite (magnet) ; Parametric statistics ; Nanotechnology ; Metallurgy ; Chemical engineering ; Composite material ; Engineering ; Mathematics Magnetic Properties and Synthesis of Ferrites ; Iron oxide chemistry and applications ; Minerals Flotation and Separation Techniques
Authors: Errui Li | Arvind Ganesan | Hongjun Liu | Alexander S. Ivanov | Lilin He | Phattananawee Nalaoh | David M. Jenkins | Carlos A. Steren | Narges Mokhtarinori | Jian Zhi Hu | Bo Li | De‐en Jiang | Shannon M. Mahurin | Zhenzhen Yang | Sheng Dai
Source: Angewandte Chemie (article, 2025-01-06)
Field: Materials Science — Materials Chemistry

Sub‐5 Ångstrom Porosity Tuning in Calixarene‐Derived Porous Liquids via Supramolecular Complexation Construction Abstract Sub‐Ångstrom‐level porosity engineering, which is appealing in gas separations, has been demonstrated in solid carbon, polymer, and framework materials but rarely achieved in the liquid phase. In this work, a gas molecular sieving effect in the liquid phase at sub‐5 Ångstrom scale is created via sophisticated porosity tuning in calixarene‐derived porous liquids (PLs). Type II PLs are constructed via supramolecular complexation between the sodium salts of calixarene derivatives and crown ether solvents. The chemical structure variation and assembly behavior of the porous host upon PL construction are monitored by spectroscopy‐, X‐ray‐, and neutron‐scattering techniques. The presence of permanent porosity in calixarene‐derived PLs is verified by pressure swing gas uptake, altered CO 2 physisorption behavior, and molecular simulations. Sub‐5 Ångstrom porosity tuning within the PL phase is achieved by introducing bulky substituted groups on the benzene ring of the calixarene host, which then greatly affects the dynamic motion and transport behavior of CO 2 molecules and the Xe uptake performance. The approach being demonstrated in this work represents a promising pathway to tune and leverage the porosity effect for enhanced gas uptake capacity and selectivity in liquid sorbents. Calixarene ; Porosity ; Supramolecular chemistry ; Chemical engineering ; Chemistry ; Physisorption ; Materials science ; Organic chemistry ; Molecule ; Adsorption Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Chemistry and Complexes
Authors: Charlotte N. Stindt | Taegeun Jo | Jorn D. Steen | Ben L. Feringa | Stefano Crespi
Source: The Journal of Physical Chemistry A (article, 2025-01-23)
Field: Chemistry — Organic Chemistry

Computational Study on the Dynamics of a Bis(benzoxazole)-Based Overcrowded Alkene Understanding and controlling molecular motions is of pivotal importance for designing molecular machinery and functional molecular systems, capable of performing complex tasks. Herein, we report a comprehensive theoretical study to elucidate the dynamic behavior of a bis(benzoxazole)-based overcrowded alkene displaying several coupled and uncoupled molecular motions. The benzoxazole moieties give rise to 4 different stable conformers that interconvert through single-bond rotations. By performing excited- and ground-state molecular dynamics simulations, DFT calculations, and NMR studies, we found that the photochemical <i>E-Z</i> isomerization of the central double bond of each stable conformer is directional and leads to a mixture of metastable isomers. This transformation is analogous to the classical Feringa-type molecular motors, with the notable difference that, during the photochemical isomerization and the subsequent thermal helix inversion (THI) steps, multiple possible pathways take place that involve single-bond rotations that can be both coupled and uncoupled to the rotation of the naphthyl half of the molecule. Benzoxazole ; Alkene ; Dynamics (music) ; Chemistry ; Computer science ; Organic chemistry ; Psychology Supramolecular Chemistry and Complexes ; Synthesis and Properties of Aromatic Compounds ; Photochemistry and Electron Transfer Studies
Authors: Hui‐Chih Hung | Shi-Kai Lin | Ran-Jin Lin | Tzu-Yuan Huang | Chia-Che Wu
Source: Discover Nano (article, 2025-10-19)
Field: Materials Science — Materials Chemistry

Fabrication of tunable Large-Area Moth-Eye nanostructures for antireflection and hydrophobicity via anodic aluminum oxide templates and nanoimprint lithography In this study, a comprehensive process-structure-function roadmap was established for bio-inspired functional surfaces. We systematically controlled the pore diameter, interpore distance, pore depth, and pore aspect ratio of anodic aluminum oxide (AAO) master templates via multistep anodization. These templates were then replicated in durable nickel-cobalt alloy working molds through electroforming, and their nanostructures were transferred to polycarbonate films using nanoimprint lithography. Our findings highlighted the critical influence of pre-anodization, electrolyte type (oxalic acid for an ~ 100 nm interpore distance; phosphoric acid for ~ 400 nm), anodization potential, and time on the AAO structures. We also identified 100 A/m<sup>2</sup> as the optimal current density for achieving high-aspect-ratio structures under intense anodization. The polymer film replicas obtained using these precisely controlled templates showed significantly enhanced functional properties: the average surface reflectance decreased from 10.85% to a minimum of 3.5%, transmittance increased from 80.1 to 92.3%, and water contact angles improved from 91.46 to 138.69°. Thus, a higher structural aspect ratio is crucial for enhanced hydrophobic performance, consistent with the Cassie-Baxter model. In summary, this research provides an efficient, controllable method for manufacturing high-performance bio-inspired functional surfaces and, more critically, establishes direct correlations between anodization parameters and the resulting optical and wetting properties, offering key guidance for material design. Anodizing ; Nanoimprint lithography ; Fabrication ; Template ; Nanostructure ; Wetting ; Contact angle ; Polycarbonate ; Transmittance Anodic Oxide Films and Nanostructures ; Nanowire Synthesis and Applications ; Optical Coatings and Gratings