jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jocelyn L. Mendes | Srijan Bhattacharyya | Chengye Huang | Jonathan M. Michelsen | Isabel Klein | Finn Babbe | Thomas Sayer | TianChu LI | J Cooper | Hanzhe Liu | Naomi S. Ginsberg | Andrés Montoya−Castillo | Scott K. Cushing
Source: The Journal of Physical Chemistry Letters (article, 2026-01-02)
Field: Materials Science — Materials Chemistry

Coherent and Dynamic Small Polaron Delocalization in CuFeO <sub>2</sub> Small polarons remain a bottleneck in realizing efficient transition metal oxide devices. Routes to engineer small polaron coupling to electronic states and lattice modes to control carrier localization remain unclear. Here, we measure small polaron formation in CuFeO<sub>2</sub> using transient extreme ultraviolet reflection spectroscopy and compare to theoretical predictions in realistically parametrized Holstein models, demonstrating that polaron localization depends on coupling to high-frequency versus low-frequency phonon bath components. We measure small polaron formation on a comparable ∼100 fs timescale to other Fe(III) compounds. Dynamic delocalization of the polaron follows formation through a coherent lattice expansion between Fe-O layers and charge-sharing with surrounding Fe(IV) states. Simulations reveal two major factors dictate polaron formation timescales: phonon density and reorganization energy distributions between acoustic and optical modes, matching experimental findings. Our work shows how electronic-structural coupling in a polaron-host material can be leveraged to suppress polaronic effects for various applications. Polaron ; Delocalized electron ; Phonon ; Coupling (piping) ; Spectroscopy ; Lattice (music) Copper-based nanomaterials and applications ; Dielectric properties of ceramics ; Magnetic Properties and Synthesis of Ferrites
Authors: Victor González Carratalá | Clara Chinchilla-Garzon | Alechania Misturini | Emilio Borrego-Marin | Álvaro López-Diago | Moussa D. Faye Diouf | Mauro Gemmi | Jorge A. R. Navarro | Sergio Tatay | Natalia M. Padial | Carlos Martí-Gastaldo
Source: ChemRxiv (article, 2026-03-30)
Field: Chemistry — Inorganic Chemistry

Translating π-adsorptive sites across reticular chemistries for water-tolerant CO2 capture Metal-organic frameworks (MOFs) are among the most versatile platforms for CO2 capture, yet their performance under realistic, humid conditions remains a major limitation. Strategies that enhance CO2 affinity often rely on highly polar adsorption sites, which simultaneously promote water uptake and compromise selectivity and stability. Overcoming this trade-off between adsorption strength and operational robustness remains a central challenge in the field. Here we show that this limitation can be addressed by translating a π-based CO2 recognition motif from a carboxylate MOF into a denser pyrazolate framework. In the resulting material, MUV-92, structural confinement reconfigures the adsorption energy landscape, redistributing CO2 binding over several energetically similar sites rather than concentrating it in a single dominant environment. This redistribution leads to homogeneous adsorption energetics and enhanced uptake without introducing additional polar functionalities. Framework densification also creates a more confined pore environment dominated by weakly interacting polyaromatic surfaces, which limits water access to the adsorption cavities. As a result, MUV-92 maintains efficient CO2 capture under humid conditions. Dynamic breakthrough and competitive adsorption experiments demonstrate sustained performance even under saturated humidity, a regime in which benchmark materials typically suffer severe performance losses. Adsorption ; Homogeneous ; Polar ; Robustness (evolution) ; Selectivity ; Reticular connective tissue Metal-Organic Frameworks: Synthesis and Applications ; Carbon Dioxide Capture Technologies ; Carbon dioxide utilization in catalysis
Authors: Haoran Li | Jiali Song | Han Yuan | Ji Zhang | Kai Hao
Source: Sustainability (article, 2026-03-27)
Field: Materials Science — Surfaces, Coatings and Films

Experimental Study on Anti-Frosting Superhydrophobic Coatings for Energy Equipment Surfaces Wind and solar power generation represent crucial forms of clean energy utilisation, where generation efficiency is paramount. However, clean energy facilities such as wind turbine blades and photovoltaic sheets frequently cease operation during low temperatures due to ice and frost accumulation, resulting in energy wastage. This study investigates the mechanism of low-temperature surface frost formation through observational experiments. By comparing the temporal progression of frost accumulation on four materials—HIPS (high-impact polystyrene), ABS (Acrylonitrile Butadiene Styrene), acrylic, and acrylic sheet with low-temperature flexible superhydrophobic coating (LFSC)—it validates the anti-frost capabilities of superhydrophobic surfaces. The experimental results show that, under the same conditions, surface frosting gradually decreases as the contact angle of the material increases. After 15 min of frosting, the frost layer thicknesses of the four materials were 0.057 mm, 0.101 mm, 0.105 mm, and 0.275 mm, respectively, and the frost coverage per unit area was 12%, 68%, 76%, and 88%, respectively. The frost formed on the superhydrophobic coating surface was loose and thin, with a frost suppression efficiency exceeding 80%. In contrast, the three materials—HIPS, ABS, and untreated acrylic sheets—exhibited significant frost particle accumulation, and as time progressed, a cycle of frost crystal growth, melting, and regrowth occurred. This study demonstrates that superhydrophobic surfaces possess excellent frost-inhibiting capabilities, which can reduce the energy consumption associated with traditional defrosting methods such as heating and spraying chemical de-icing agents, thereby enabling the sustainable use of energy. Defrosting ; Frost (temperature) ; Coating ; Surface energy ; Contact angle ; Solar energy ; Layer (electronics) ; Turbine blade ; Icing Surface Modification and Superhydrophobicity ; Icing and De-icing Technologies ; Heat Transfer and Optimization
Authors: Jinwen Liu | Katharina Doblhoff-Dier | Marc T. M. Koper
Source: ACS electrochemistry. (article, 2026-03-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Modelling the Double Layer of Polycrystalline Electrodes: Capacitance, Potential of Zero Charge, and Parsons–Zobel Plot The double layer capacitance is a central tool to gain insight into the electrical double layer (EDL), yet its interpretation remains challenging. This is true in particular in the presence of surface heterogeneity and specific adsorption. Using a mean-field model, we discuss how these factors shape capacitance curves, affect the potential of zero charge (PZC), and alter the Parsons-Zobel (PZ) plots. The model reveals four distinct regimes of interfacial capacitance behaviour, determined by the facet size and ratio, the Debye length, and differences in PZC and Helmholtz capacitance between facets. These regimes define clear conditions under which capacitance curves exhibit either one or two minima, with the single minimum either coinciding with or deviating from the global PZC. We further demonstrate how adsorption on low-coordinated facets modifies the symmetry and magnitude of capacitance profiles and suppresses PZ slopes. Overall, this work provides a simple yet useful theoretical basis for recognizing and disentangling the respective roles of surface heterogeneity and adsorption in the EDL of polycrystalline electrodes, aiding in the interpretation of experimental results. Double layer (biology) ; Zero (linguistics) ; Layer (electronics) ; Crystallite ; Plot (graphics) Supercapacitor Materials and Fabrication ; Dielectric materials and actuators ; Electrostatics and Colloid Interactions
Authors: Sewara J. Mohammed | Kosar M. Ali | Fryad S. Mustafa | Hastyar Hama Rashid Najmuldeen | Fayez Alghofaili | Mohammed Koksh Sidiq | Kawan F. Kayani
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Encapsulation of carbon dots in medicinal chemistry: a comprehensive review of recent advances and applications Carbon dots (CDs) have emerged as highly promising nanomaterials in medicinal chemistry due to their unique optical properties, excellent biocompatibility, and facile surface functionalization. However, their clinical translation is often hindered by limitations such as colloidal instability, nonspecific biodistribution, and limited therapeutic efficacy. This review emphasizes the pivotal role of encapsulation strategies in overcoming these challenges and enhancing CD functionality for advanced nanomedicine. We provide a comprehensive analysis of various encapsulation techniques, including polymeric, lipid-based, inorganic, and hybrid systems, detailing their mechanisms, advantages, and limitations. Advances in CD synthesis, functionalization, and physicochemical and biophysical characterization are discussed, along with their expanding applications in drug delivery, bioimaging, theranostics, biosensing, and related biomedical fields. Finally, we examine key translational barriers and propose future opportunities in intelligent nanocarrier engineering, clinical development, and regulatory advancement. This review offers a critical and in-depth perspective on encapsulated CDs as innovative, multifunctional platforms poised to advance modern medicinal chemistry. Encapsulation (networking) ; Drug ; Drug delivery ; Carbon fibers Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors
Authors: Shengzhao Yang | Rongfei Juan | Junhe Lian
Source: Materials Today Sustainability (article, 2026-02-24)
Field: Materials Science — Metals and Alloys

Towards sustainable hydrogen infrastructures: Additive manufacturing of metallic materials for enhanced resistance to hydrogen embrittlement Publisher Copyright: © 2026 The Authors. Hydrogen embrittlement ; Hydrogen ; Metal ; Embrittlement ; Carbide Hydrogen embrittlement and corrosion behaviors in metals ; Additive Manufacturing Materials and Processes ; Titanium Alloys Microstructure and Properties
Authors: Chun-ling Chang | Hsien-Jen Tseng | Syusheng Sie
Source: EPJ Web of Conferences (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Accelerating Instrument Troubleshooting: An AI-Driven Approach to Eliminating O <sub>2</sub> Trap Breakthrough in GC-HDID Analysis The analysis of trace impurities in ultra-high purity oxygen (UPO) via GC-HDID is critically dependent on the O 2 trap’s performance, where recurring breakthroughs pose a significant challenge. This paper presents an innovative troubleshooting framework that dramatically accelerates problem resolution by integrating AI, contrasting sharply with traditional, time-consuming methods. Conventional approaches involve laborious cycles of manual review, broad internet and literature searches, and multiple consultations before a testable solution can be proposed. Our novel workflow bypasses these inefficiencies. We fed instrument manuals and raw failure data from a ’T Instrument’ directly into an AI model (Gemini) for a “deep research” phase. However, initial AI outputs were too broad, identifying general-purpose purifiers rather than the specific, regenerable O 2 trap in question, as many manufacturers do not disclose these proprietary details. Here, operator expertise became crucial. We iteratively tuned the AI’s research, refining our queries to focus on the specific context of regenerable, copper-based catalysts used for GC matrix removal. This expert-guided “deep research” successfully filtered out irrelevant information and led the AI to confirm a universal, underlying chemical principle—the copper redox reaction (2Cu+O2→2CuO; CuO+H2→Cu+H2O)—across different manufacturers’ traps. This pivotal, AI-generated insight, achieved through expert-led refinement, enabled a swift and accurate diagnosis when combined with operator experience. The root cause was not the regeneration reaction itself, but the incomplete removal of its H 2 O byproduct. The solution was therefore clear: significantly extend the total duration of the high-temperature helium purge across both the ’Heater’ and ’Standby’ phases. This optimized protocol completely eliminated breakthrough events. This AI-augmented methodology, where human expertise directs AI’s powerful analytical capabilities, represents a paradigm shift, saving considerable time on unfocused research and meetings, and presents a powerful, transferable framework for rapidly solving complex instrumentation challenges in gas analysis. Troubleshooting ; Workflow ; Context (archaeology) ; Protocol (science) ; Operator (biology) ; TRACE (psycholinguistics) ; Filter (signal processing) ; Matrix (chemical analysis) Catalytic Processes in Materials Science ; Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion
Authors: Basam Mahmoud Kasem
Source: Global Journal of Health Sciences and Research (article, 2026-02-11)
Field: Materials Science — Biomaterials

Prostate cancer targeting strategies using biodegradable-based polymeric nanoparticles potentials and future Prostate cancer is still one of the most popular diseases with a high mortality rate all over the world, so that more efficient treatment approaches are extremely required, and polymeric-based nanoparticles may represent a more non-invasive smart carrier that can increase selectivity and reduce adverse reactions in addition to the possibility for a more prolonged drug release profile. This review aims to highlight the role of biodegradable polymeric-based nanoparticles as a potential platform for long-term prostate cancer treatment. Prostate cancer ; Drug ; Cancer ; Adverse effect ; Nanoparticle ; Targeted drug delivery ; Cancer therapy ; Cancer treatment Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Prostate Cancer Treatment and Research
Authors: Thomas P. Chaney | Samuel D. Marks | Dylan M. Ladd | Andrei Fluerasu | Federico Zontone | Yuriy Chushkin | Sebastian Frücht | Dina Sheyfer | Kelsey Levine | Amnahir E. Peña-Alcántara | Hans‐Georg Steinrück | Michael F. Toney
Source: Newton (article, 2026-03-01)
Field: Materials Science — Materials Chemistry

Heterogeneous dynamics in a polymer solution revealed through measurement of ultraslow convection correlation spectroscopy reveals ultraslow convection A ngstrom-per-second flow measured directly in a polymer solution Beam-induced heating alters dynamics without changing structure Autocorrelation ; Convection ; Dynamics (music) ; Beam (structure) ; Flow (mathematics) ; Dynamic light scattering ; Scattering ; Light scattering ; Polymer Material Dynamics and Properties ; Block Copolymer Self-Assembly ; Rheology and Fluid Dynamics Studies
Authors: Ali Y. Alzahrani
Source: JOURNAL of QASSIM UNIVERSITY FOR SCIENCE (article, 2026-03-10)
Field: Chemistry — Electrochemistry

Application of Square Wave Adsorptive Stripping Voltammetry in the Temporal Variation of Trace Co(II), Ni(II), Cr(VI), and Mo(VI) Ions in Drinking Water Samples at Al-Baha City, Saudi Arabia Objectives Trace Co(II), Ni(II), Cr(VI) and Mo(VI) ions in drinking water samples taken from eight sampling regions at Al–Baha city, Saudi Arabia, were assessed. Material and Methods square wave adsorptive stripping voltammetry (SWAdSV) with a domestic carbon paste electrode and graphite furnce atomic absorption spectrophotometric(GFAAS) techniques, were used. Samples of drinking water were taken from eight sampling regions at Al–Baha city, Saudi Arabia. The influence of various parametres were studied by means of the SWAdSV technique. Results The results obtained showed that the detection limits of the examined cations at 30 s deposition time (n = 5) are: 0.15 ng L -1 for Co(II), 0.05 ng L -1 for Ni (II), 0.2 ng L -1 for Cr(VI) and 3.2 ng L -1 for Mo(VI), respectively. The assesment of the examined cations in drinking water ranging from : for Co(II) (0.42–68.5 µg L -1 , n = 5), Ni(II) (0.29–0.87 µg L -1 , n = 5), Cr(VI) (1.5–22.35 µg L -1 , n = 5) and for Mo(VI) (0.58–2.58 µg L -1 , n = 5), respectively. The resulting data for studied cations are compared with those assessed by the graphite furnce atomic absorption spectrophotometric technique(GFAAS). Interfering between cations under analysis have been examined. Moreover, the storage of the studied samples was verified, and the results were agreement with the other processes. The accuracy of the proposed technique was attained via statistical analysis for the gained data. Conclusion The study concluded that most of the drinking water samples used were a very good agreement with the other processes. Analytical Chemistry (journal) ; Stripping (fiber) ; Atomic absorption spectroscopy ; Graphite ; Voltammetry ; Ion ; Graphite furnace atomic absorption ; Deposition (geology) Electrochemical Analysis and Applications ; Analytical chemistry methods development ; Dye analysis and toxicity
Authors: Keshav Vasudeva | Samuel Huberman | Angus P. C. Wylie | Maxwell Rae | Joey Demiane | Jamal Abou Haibeh | Elena Botica-Artalejo | Kevin B. Woller | Michael P. Short | S. Ferry
Source: ArXiv.org (article, 2026-02-26)
Field: Materials Science — Materials Chemistry

Accounting for the length-scale dependence of thermal diffusivity in 3C-SiC measured with transient thermal gratings Pump-probe optical methods like transient grating spectroscopy (TGS) enable rapid, nondestructive thermoelastic property measurements. But, in phonon-dominated ceramics, they can underpredict bulk thermal diffusivity when long mean free path (MFP) phonons do not equilibrate over experimental length scales. We combine in situ TGS with Si4+ ion irradiation of CVD 3C-SiC (300 and 550C, 0.5-1 dpa) and density functional theory informed Boltzmann transport equation solutions to understand the origins of this offset. We show how the discrepancy between laser flash analysis (LFA) and TGS-measured thermal diffusivity varies with grain-boundary density, temperature, and defect concentration. We introduce a dimensionless suppression factor that accounts for this discrepancy and demonstrate its utility by using it to show an agreement between the thermal defect resistance of neutron irradiated 3C-SiC (measured using LFA) and ion irradiated 3C-SiC (measured using TGS). This theory-informed experimental framework enables quantitative, in situ tracking of ion irradiation damage induced thermal transport degradation in ceramics. Thermal diffusivity ; Laser flash analysis ; Irradiation ; Dimensionless quantity ; Thermal ; Transient (computer programming) ; Grating ; Thermoelastic damping ; Phonon Thermal properties of materials ; Silicon Carbide Semiconductor Technologies ; Advanced ceramic materials synthesis
Authors: N.I. Cherkashina | A.Yu. Ruchiy | D.V. Pushkarskaya | A.A. Kuzheleva | Yu.I. Litvinova
Source: Nanotechnologies in Construction A Scientific Internet-Journal (article, 2026-02-28)
Field: Materials Science — Polymers and Plastics

Production of a highly dispersed filler for building composites from flax processing waste Introduction.The study investigates the possibility of extracting valuable compounds from flax processing waste (flax shives) for subsequent use as a highly dispersed filler in building composites.Materials and methods.The following chemical reagents were used for synthesis: H 2 SO 4 93.64 % (C.P.), NaOH (C.P.), H 2 O (distilled), H 2 O 2 ~30 % (C.P.) as well as flax shives powder crushed in a cryogenic mill.Results and discussion.The characteristics of the raw materials confirmed the presence of useful components in the material -cellulose, silicon dioxide and lignin.A technology for the chemical treatment of flax shives was developed, thereby enabling the extraction of valuable components.Conclusion.A method for obtaining cellulose, silicon dioxide and lignin from flax shives has been worked out.Further practical application of the obtained materials for building compositions is possible after the use of special purification methods. Raw material ; Filler (materials) ; Lignin ; Extraction (chemistry) ; Silicon dioxide ; Silicon Natural Fiber Reinforced Composites ; Varied Academic Research Topics ; Hygrothermal properties of building materials
Authors: Ghayah M. Alsulaim | Shada A. Alsharif | Hanan A. Althikrallah | Marwah M. Alsowayigh
Source: Journal of Saudi Chemical Society (article, 2026-01-20)
Field: Materials Science — Materials Chemistry

New perovskite (Y, Zr, Ga)-BaTiO3 nanostructures for spin-memory chips: high intrinsic ferromagnetic order Ceramic perovskite compounds composed of (Y, Zr) and (Ga, Zr) co-substituted BaTiO3 powders have been synthesized using the solid-state reaction method for applications in spintronics technology. The X-ray diffraction results confirmed that the incorporation of (Y, Zr) and (Ga, Zr) ions into BaTiO3 lattice not changed its tetragonal phase, but affected on the lattice parameters and cell dimension. The study of the optical properties of pure, (Y, Zr) and (Ga, Zr) co-substituted BaTiO3 powders by diffuse reflectance tool demonstrated that these specimens have a band gap energy of 3.26, 3.24 and 3.23 eV, respectively. The TEM morphological image of the pure BaTiO3 powder revealed that the particles are highly agglomerated together in large masses. In contrast, the TEM images of (Y, Zr) and (Ga, Zr) co-substituted BaTiO3 powders illustrated the formation of nanosized homogenous particles with less agglomeration. The magnetic field-magnetization loop of pure BaTiO3 powder shown ferromagnetic order at room temperature. The measured saturation magnetization, retentivity and coercivity of BaTiO3 specimen are 0.08386 emu/g, 71 Oe and 0.00146 emu/g, respectively. The hysteresis loops of non-magnetic (Y, Zr) and (Ga, Zr) codoped BaTiO3 compositions exhibit a complete ferromagnetic order at room temperature with measured saturation magnetization of 0.108 emu/g and 0.812 emu/g, respectively. Interestingly, the saturation magnetization of (Ga, Zr) co-substituted BaTiO3 powder is ten times more than pure BaTiO3 sample (0.08386 → 0.812 emu/g). This research point towards the advanced role of dual-doping on development new compositions appropriate for future electronics based on spin-property. Coercivity ; Ferromagnetism ; Tetragonal crystal system ; Ferromagnetic material properties ; Spintronics ; Magnetization ; Saturation (graph theory) ; Band gap Ferroelectric and Piezoelectric Materials ; Multiferroics and related materials ; ZnO doping and properties