jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lingyi Bi | Eric M. Gallo | Aditi Maheshwari | Yury Gogotsi | Andreea Danielescu
Source: Advanced Fiber Materials (article, 2025-07-09)
Field: Materials Science — Materials Chemistry

Chronologic Analysis of MXene-Functionalized Smart Textiles Abstract Since their discovery in 2011, MXenes, two-dimensional transition metal carbides and nitrides, have emerged as highly promising materials for smart textile applications. They offer exceptional properties such as high electrical conductivity, optical tunability, and mechanical flexibility. These materials can also be produced at scale and readily solution-processed into textile formats, fueling a surge of interest in integrating MXenes into various smart textile applications, from strain sensors and wearable biosensors to adaptive thermal management and electromagnetic interference (EMI) shielding. However, despite this rapid growth, existing reviews of MXene-enabled smart textiles remain narrow in scope, often focusing on single fabrication methods or specific functionalities. Such a fragmented perspective makes it difficult for researchers to gain a comprehensive understanding of how the field has evolved and where it is headed. In response, we present a quantitative bibliographic analysis of MXene–textile research from 2017 through 2024, encompassing nearly 1000 publications. This review categorizes the literature by major functional domains (sensing, energy storage/harvesting, EMI shielding, and heating) and examines their shifts over time, providing reasons and examples for these changes in research interest. Additionally, detailed analyses of functions in each category were conducted in a similar fashion. Our holistic, data-driven assessment offers guidance for future research and commercialization of MXene-functionalized smart textiles by identifying high-impact areas, emerging opportunities, and critical gaps. Materials science ; Computer science MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Electromagnetic wave absorption materials
Authors: Ming Chen | Muhammad Ibrahim | Yang Li | Yaqi Zhang | H. Zhou | Hui Li | Shaoguang Li | Fan Xia
Source: Advanced Functional Materials (article, 2025-12-31)
Field: Materials Science — Polymers and Plastics

Synthesis and Characterization of Precisely‐Structured Molecular Nanoparticles for Biological Applications ABSTRACT Precisely‐structured molecular nanoparticles (MNPs) represent a transformative approach in nanomedicine, overcoming the limitations of conventional nanoparticles—such as structural heterogeneity and unpredictable bio‐interactions—by enabling atomic‐level control over size, shape, and surface functionality. This review highlights recent advances in the design, synthesis, and characterization of MNPs, which include sequence‐defined polymers, dendrimers, nanoclusters, and DNA nanostructures. We discuss innovative synthetic strategies—both covalent and non‐covalent—and emphasize the critical role of advanced characterization techniques to ensure structural fidelity. The biological applications of MNPs are extensively explored, particularly in biosensing and cancer therapy, where their precision enables enhanced targeting, stimuli‐responsive behavior, and combinatorial treatments. Finally, we also address ongoing challenges in scalability, stability, and clinical translation, and outline future directions for developing intelligent MNP platforms for biomedical use. Characterization (materials science) ; Biosensor ; Nanoparticle ; Transformative learning ; Nanomedicine ; Cancer therapy Dendrimers and Hyperbranched Polymers ; Nanocluster Synthesis and Applications ; Supramolecular Chemistry and Complexes
Authors: Hanggara Sudrajat | Juan Carlos Colmenares
Source: ARKIVOC (article, 2025-03-27)
Field: Chemistry — Organic Chemistry

Piezoredox catalysis: a new tool for organic transformations Piezoredox catalysis exploits the unique properties of piezoelectric materials to drive redox reactions under mechanical stress, combining sonochemistry and mechanochemistry with heterogeneous catalysis as an alternative to traditional methods.By utilizing piezoelectric materials that generate localized electric fields upon mechanical activation, this approach facilitates organic transformations without requiring potential bias, heat, or light.This review discusses the fundamentals of piezocatalysis, the organic transformations it enables, and the strategies for selecting efficient piezocatalysts.It also addresses current challenges and future prospects, emphasizing the potential of piezoredox catalysis to advance synthetic methodologies. Chemistry ; Catalysis ; Combinatorial chemistry ; Organic chemistry Oxidative Organic Chemistry Reactions ; Chemical Synthesis and Reactions ; Synthesis and biological activity
Authors: Arsène Chemin | Louis Godeffroy | Marin Rusu | Michael Drisch | Maik Finze | Peter Knittel | Anke Krueger | Tristan Petit
Source: PRX Energy (article, 2025-08-01)
Field: Chemistry — Electrochemistry

Modulating Surface Redox Reactions and Solvated Electron Emission on Boron-Doped Diamond by (Photo)electrochemistry The interplay between photochemical and electrochemical reactions fundamentally influences charge transfer processes at solid-liquid interfaces. Nevertheless, chemical processes at semiconductor surfaces triggered by light excitation under an applied potential remain poorly explored. This work deciphers the synergistic effect of potential and light excitation on boron-doped diamond electrodes in producing either surface redox reactions or emission of solvated electrons in water. The effect of diamond surface termination on electron affinity, band bending, and charge extraction is identified in a photoelectrochemical cell. While photocurrent is observed for excitation as low as 3.5 eV, we show that it is induced mostly by surface redox reactions, whereas solvated electrons are detected only for excitation above the band gap (5.47 eV). Solvated electrons are generated irrespective of band bending, which affects only the emission yield. Depending on the surface band bending, photoreduction of the hydroxylated surface groups and photooxidation of the C— <a:math xmlns:a="http://www.w3.org/1998/Math/MathML" display="inline"> <a:mrow> <a:mrow> <a:mi mathvariant="normal">H</a:mi> </a:mrow> </a:mrow> </a:math> surface groups can be induced by direct photoexcitation in the range of 4.2–4.8 eV. The surface of the diamond can be electrochemically reduced when the Fermi level of the oxidized surface decreases below the <d:math xmlns:d="http://www.w3.org/1998/Math/MathML" display="inline"> <d:msup> <d:mrow> <d:mrow> <d:mi mathvariant="normal">H</d:mi> </d:mrow> </d:mrow> <d:mo>+</d:mo> </d:msup> </d:math> / <g:math xmlns:g="http://www.w3.org/1998/Math/MathML" display="inline"> <g:msub> <g:mrow> <g:mrow> <g:mi mathvariant="normal">H</g:mi> </g:mrow> </g:mrow> <g:mn>2</g:mn> </g:msub> </g:math> redox potential. On the other hand, the hydrogenated surface oxidizes spontaneously for potentials at which the Fermi level drops below the occupied <j:math xmlns:j="http://www.w3.org/1998/Math/MathML" display="inline"> <j:mstyle displaystyle="false" scriptlevel="0"> <j:mtext>C---H</j:mtext> </j:mstyle> </j:math> surface states, depending on both the pH and the electron affinity of the surface. This work provides insights into (photo)redox processes on diamond materials, which may find applications in photoelectrochemical solar fuel generation or energy storage. Redox ; Boron ; Electrochemistry ; Diamond ; Doping ; Electron ; Solvated electron ; Materials science ; Photochemistry ; Chemistry ; Inorganic chemistry ; Electrode ; Optoelectronics ; Physical chemistry ; Physics ; Metallurgy Electrochemical Analysis and Applications ; Electronic and Structural Properties of Oxides ; Diamond and Carbon-based Materials Research
Authors: María Elena Sánchez Vergara | H. Moore | Luis Alberto Cantera-Cantera
Source: Micromachines (article, 2025-04-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Investigation of Halogenated Metallic Phthalocyanine (InPcCl and F16CuPc)-Based Electrodes and Palm Substrate for Organic Solid-State Supercapacitor Fabrication In this work, we report on the fabrication of a novel Organic Double-Layer Supercapacitor (ODLSC) using recycled palm as the substrate and electrodes based on halogenated indium and copper phthalocyanines. The electrodes were characterized using Reflectance, the Kulbeka-Munk function, and Fluorescence. Finally, their electrical behavior was evaluated, and the results were compared with those obtained for a more conventional supercapacitor fabricated on polyethylene terephthalate substrate and using indium tin oxide film for electrodes. Based on the experimental measurements of the fabricated ODLSC, the parameter identification of the classical equivalent circuit model was carried out using the Least Squares of Orthogonal Distances (LSOD) algorithm. The results indicated that the palm supercapacitor exhibited behavior more like that of traditional supercapacitors, as the root square mean error (RMSE) values in the model approximation of the experimental data were in the order of 10-7. Furthermore, the models obtained allowed a determination of the device's Electrical Impedance Spectroscopy (EIS), revealing that the Palm SC-T1 exhibited capacitive behavior. In contrast, the manufactured Palm SC-T2, PET SC-T1, and PET SC-T2 devices exhibited inductive behavior. All the materials used in this work, such as the substrates, electrodes, separator membranes, and electrolytes, have a high potential to be used in organic supercapacitors. Materials science ; Supercapacitor ; Electrode ; Phthalocyanine ; Fabrication ; Capacitance ; Substrate (aquarium) ; Indium ; Optoelectronics ; Analytical Chemistry (journal) ; Nanotechnology ; Chemistry ; Organic chemistry Supercapacitor Materials and Fabrication ; Conducting polymers and applications ; Electrochemical sensors and biosensors
Authors: Ran Chen | Laurent Bouteiller | Matthieu Raynal
Source: Chemistry - A European Journal (review, 2025-06-18)
Field: Materials Science — Biomaterials

The Ascent of Supramolecular Polymers and Gels in Asymmetric Catalysis Supramolecular polymers (SPs) and gels, formed by the spontaneous assembly of small molecules through various types of noncovalent interactions, are attractive materials for many applications. Their modularity also offers many opportunities in asymmetric catalysis that have been tackled in the last two decades and more intensively in the last one. In this review, strategies adopted to develop efficient asymmetric catalysts supported on SPs and gels are first categorized according to the chiral or achiral nature of the monomers used for their construction and second to their ability to be commuted into different states. Catalytic SPs have been described for which enantioselectivity stems mostly from the molecular chirality located next to the reactive group, or at opposite ends of the spectrum, exclusively from the chiral environment provided by the supramolecular helices. New paradigms revealed by these systems include (i) the organization of catalytic sites at the periphery of modular and well-structured 1D assemblies, (ii) the possibility to conduct asymmetric reactions with a sub-catalytic amount of chiral inducers and even in the absence of chiral monomers, and (iii) the development of a new class of switchable asymmetric catalysts. Supramolecular chemistry ; Polymer ; Enantioselective synthesis ; Supramolecular polymers ; Catalysis ; Monomer ; Modularity (biology) ; Chirality (physics) ; Nanotechnology ; Materials science ; Molecule ; Chemistry ; Combinatorial chemistry ; Organic chemistry ; Physics Supramolecular Self-Assembly in Materials ; Synthesis and Properties of Aromatic Compounds ; Surface Chemistry and Catalysis
Authors: Alexandra Wahab | Renana Gershoni‐Poranne
Source: The Journal of Organic Chemistry (article, 2025-08-29)
Field: Chemistry — Organic Chemistry

From Rings to Properties: Understanding the Effect of Annelation on Pyrene Pyrene is a central building block in organic materials chemistry, valued for its rigid aromatic core, high fluorescence, and rich capacity for structural elaboration. However, the fundamental relationship between its annelation pattern and resulting electronic properties remains underexplored. In this work, we present a comprehensive computational study of 4,766 pyrene-based polybenzenoid hydrocarbons from the COMPAS-3D data set. By systematically categorizing annelation patterns based on the positions of fused benzene rings, we uncover clear structure-property trends governing key electronic parameters, including molecular orbital energies and oxidation and reduction potentials. We find that annelations at different positions exert different effects, which combine additively, and that these trends correlate with the distribution of fixed versus migrating Clar sextets. We further show that extended linear annelation can dominate electronic behavior, superseding local pyrene effects. Additionally, we evaluate the effect of torsional strain, revealing a clear link between annelation patterns and thermodynamic molecular destabilization. These insights provide a framework for the rational design of functional pyrene-based molecules. Annulation ; Pyrene ; Chemistry ; Molecule ; Computational chemistry ; Chemical physics ; Organic chemistry Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Organic Electronics and Photovoltaics
Authors: Muhammad Salman | Zeeshan Mahmood | Aurang Zaib | Kanwal Akhtar | A. Muhammad | Wasim Tahir | Muhammad Iqbal | Yasir Javeed
Source: Kashf Journal of Multidisciplinary Research (article, 2025-02-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

INVESTIGATING THE EFFECTS OF CERIUM DOPING ON THE CHEMICAL AND OPTICAL PROPERTIES OF LANTHANUM PHOSPHATE NANOPARTICLES Synthesis of cerium doped lanthanum phosphate nanoparticles is described here by simple co-precipitation technique. The phase, morphology and composition 2.0 mol% Ce and 6.0 mol% Ce doped lanthanum phosphate were analyzed by Fourier transform infrared spectroscopy (FTIR) and UV-visible spectroscopy. Fourier transform infrared spectroscopy (FTIR) confirms the water vibration modes at a specific wave number along with a phosphate group and variation in wave numbers when cerium is incorporated in to lanthanum phosphate. Infrared spectral data presented for the produced sample were recorded on a Fourier transform spectrometer with the scan range of 650-4000 cm⁻¹. For the excitation and monitor photoluminescence (PL), the spectra as well as the PL were also obtained. Luminescent Co₃⁺ doped LaPO₄ when synthesized at 2.0 and 6.0 mole % was seen to exhibit PL emission. UV spectroscopic analyses show that the present absorption bands are located in the ultraviolet region and noticeably depend on the presence of dopant ions. The created samples can be sued in various lighting and display application devices. Lanthanum ; Cerium ; Doping ; Nanoparticle ; Phosphate ; Materials science ; Inorganic chemistry ; Nuclear chemistry ; Chemistry ; Nanotechnology ; Optoelectronics ; Organic chemistry Crystal Structures and Properties ; Nonlinear Optical Materials Research ; Organometallic Compounds Synthesis and Characterization
Authors: Abdulrahman Mohabbat | I. Boldog | Takin Haj Hassani Sohi | Nils Reistel | Philipp Seiffert | Christoph Janiak
Source: Crystals (article, 2025-04-26)
Field: Chemistry — Physical and Theoretical Chemistry

Hydrogen-Bonded Ladder Motifs in Naphthalene Dicarboxamides: Influence of Linear vs. Angular Amide Orientation The crystal structures of naphthalene dicarboxamides, namely 1,4-naphthalene dicarboxamide (1,4-NDA), 2,6-naphthalene dicarboxamide (2,6-NDA), and 2,7-naphthalene dicarboxamide (2,7-NDA), are presented for the first time, along with an analysis of their supramolecular organization. The compounds, obtained in single-crystalline form via solvothermal crystallization from methanol, are stable in air to near 350 °C and have melting points above 300 °C. In their densely packed structures (ρ = 1.43–1.47 cm3g−1) the combination of C11 (4) chains and R22(8) rings generates one-dimensional hydrogen-bonded ladders, with an additional R42(8) pattern. The amide groups and the naphthalene rings form dihedral angles between 22° and 40°. Neighboring H-bond ladders run parallel in 1,4-NDA and 2,6-NDA and are connected by means of the naphthalenedyil cores so that two-dimensional (2D) H-bonded sheets are obtained. Except for a weak intra-sheet π–π stacking in 1,4-NDA, there are no π–π stacking and C–H⋯π interactions. The R22(8) rings act as four-connected nodes, leading to the formation of two-dimensional H-bonded planar sheets with sql topology for the nearly linear dicarboxamides 1,4-NDA and 2,6-NDA and cds topology for the angular 2,7-NDA. Hirshfeld surface analysis and NCI plots provide additional insight into the H-bonding interactions. Amide ; Naphthalene ; Orientation (vector space) ; Hydrogen bond ; Hydrogen ; Chemistry ; Materials science ; Crystallography ; Polymer chemistry ; Molecule ; Organic chemistry ; Mathematics ; Geometry Crystallography and molecular interactions ; Molecular spectroscopy and chirality ; Chemical Reaction Mechanisms
Authors: E S Sruthy | Alejandro Grimm | Menestreau Paul | Christie Thomas Cherian | Mikael Thyrel | Palanivel Molaiyan | Ulla Lassi | Shaikshavali Petnikota | Glaydson S. dos Reis
Source: Chemical Engineering Journal Advances (article, 2025-04-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Low-temperature Highly Graphitized Porous Biomass-based Carbon as an Efficient and Stable Electrode for Lithium-ion Batteries and Supercapacitors • Elemental boron used as highly effective catalyst to achieve a high graphitization degree. • A highly porous and graphitized biochar was produced at very low temperature (900 °C). • Highly graphitized and extremely high specific surface area (2645 m 2 g -1 ) material. • The graphitized biochar exhibited outstanding battery performance higher than commercial graphite. • Outstanding battery and supercapacitors performances and electrochemical stabilities. Graphite is a widely used fossil material valued for its versatility, thanks to its excellent thermal and electrical conductivity as well as high chemical stability. Producing graphitic carbon from biomass offers a promising alternative to fossil graphite, but the process requires extremely high temperatures—up to 3000 °C—leading to significant energy consumption. In this work, we report a greener and more sustainable low-temperature method (900 °C) for the synthesis of highly graphitized biomass carbon using pure boron as a catalyst and logging residues (LR) as a carbon source. The work focuses on the correlation between the structural transformation of the precursors into graphitic carbon and their corresponding electrochemical characteristics as electrodes for lithium-ion batteries (LIBs) and supercapacitors. The carbons were prepared in two steps, i.e., carbonization at 500 °C with boron, followed by activation with KOH at 900 °C. A control carbon, produced using the same method but without boron, was used for comparison. The physicochemical characterization results demonstrated the successful graphitization of the LR-based carbon. In addition, the carbon materials exhibited highly porous structures with specific surface areas (BET) of 2645 m 2 g -1 for the boron-treated carbon (BCLR), and 3141 m 2 g -1 for the control carbon (CLR). The CLR and BCLR electrodes tested in LIBs delivered specific capacities of 386 and 505 mAh g -1 at a 1 C rate at the end of 200 cycles, respectively. CLR and BCLR electrodes were also tested for supercapacitors, delivering specific capacitances of 87 and 144 F g -1 at a current rate of 1 A g -1 , respectively. This work opens a gateway for a straightforward and cost-effective synthesis method for scaling up biomass-based carbon electrodes for LIBs and supercapacitors, facilitating sustainable precursors and an industrially viable approach. Supercapacitor ; Lithium (medication) ; Materials science ; Electrode ; Carbon fibers ; Ion ; Porosity ; Chemical engineering ; Nanotechnology ; Electrochemistry ; Composite material ; Chemistry ; Composite number ; Organic chemistry Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced Battery Materials and Technologies
Authors: Fátima Montserrat Castañeda de la Hoya | G. Torres‐Delgado | Fabiola Hernández-García | J. Márquez‐Marín | R. Castanedo‐Pérez
Source: Journal of Materials Science Materials in Electronics (article, 2025-07-01)
Field: Materials Science — Materials Chemistry

Photocatalytic degradation of 2,4-Dichlorophenoxyacetic acid using ZnO in thin film: Effect of sintering temperature and irradiation source Abstract 2,4-Dichlorophenoxyacetic acid degradation is crucial because it is commonly used as an herbicide in the agro-industry and gardens, leading to adverse health and environmental consequences. Even when ZnO is a potential photocatalyst in water pollution, it is generally used in powder form, requiring a subsequent washing process to get it back, which is a limiting factor for its large-scale application. In this work, ZnO films obtained by a simple and economical technique, such as sol–gel and sintered at various temperatures (T s ), were tested as photocatalysts for the degradation of this herbicide. Films were sintered at T s of 200 °C, 300 °C, 400 °C, and 450 °C; the effect of this parameter on the 2,4-D photocatalytic degradation in the aqueous phase was evaluated for the first time and correlated with their morphological, structural, and optical properties. Two irradiation sources with similar powers were used to evaluate the films’ photocatalytic activity: germicide lamp and solar irradiation. The results show that ZnO crystallite size and photocatalytic reaction constant ( k ) increase as T s rise. On the other hand, ZnO band gap energy decreases from 3.35 to 3.26 eV as T s rises; the highest energy value is associated with the quantum confinement effect. The highest photocatalytic response is attributed to better crystalline quality and lower lattice strain in the films. The herbicide is degraded following a zero-order reaction kinetics with maximum reaction constants, k = 6.0 × 10 –7 mol L −1 min −1 with germicide lamp and k = 3.3 × 10 –7 mol L −1 min −1 with solar irradiation, both obtained using ZnO films sintered at the highest T s . Parameters involved in the photodegradation were carefully measured and reported. The lower k value obtained using solar light is attributed to the lower ZnO optical absorption coefficients (at higher energies to its bandgap) than it obtained with UV light, leading to the generation of electron–hole carriers farther from the photocatalyst’s surface, decreasing the probability that they participate in the pollutant’s photodegradation. Materials science ; Degradation (telecommunications) ; Photocatalysis ; Sintering ; Irradiation ; 2,4-Dichlorophenoxyacetic acid ; Chemical engineering ; Thin film ; Zinc ; Composite material ; Metallurgy ; Nanotechnology ; Catalysis ; Organic chemistry ; Electronic engineering ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; TiO2 Photocatalysis and Solar Cells