jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Liujun Feng | Zhiqiang Chen | Haiyan Wang | Zhibiao Chen | Zuliang Chen | Jianhua Liu | Yi Zeng
Source: Scientific Reports (article, 2025-02-22)
Field: Chemistry — Inorganic Chemistry

A study of rare earth elements enriched carbonisation material prepared from Dicranopteris pedata biomass grown in mining area Phytoremediation is currently a very popular remediation method for salvaging rare earth mining sites. However, there is still a challenge concerning how to use secondary resources such as plant biomass following the extraction of rare earth elements (REEs). Herein, Dicranopteris pedata (Houtt.) Nakaike, a REEs hyperaccumulator, served to fabricate REEs-rich carbonisation materials (REEs/C) at different temperatures. The results showed that the percentages of Pb(II) removed using REEs/C prepared at 400 °C (REEs/C-4) and 800 °C (REEs/C-8) were 85.1% and 84.0%, respectively. These amounts were better than that of REEs-C prepared at 600 °C (REEs/C-6 (67.0%)). Characterisation analysis confirmed that rich functional groups like aromatic, hydroxyl and C = C/C-C in REEs/C-4 provided more chelation sites to effectively complex with Pb(II), while the superior removal capacity of REEs/C-8 resulted from the enrichment of more REEs and abundant pore structure. Chemisorption, such as ion exchange and chelation, plays a significant role in adsorption. During the carbonisation process of REEs/C, the REEs enriched in Dicranopteris pedata contributed to the formation of rare earth oxides and oxygen vacancies in the material, and these properties enhanced the Pb removal ability of REEs/C. Moreover, the REEs contained in the material did not cause a leaching phenomenon during Pb removal, which is a safe and environmentally friendly material. Finally, the REEs/C was applied to wastewater, and it was found that this material could effectively adsorb Pb from wastewater. Overall, this study generates a new insight into: firstly, how to use phytoextracted biomass containing REEs as valuable REEs/C materials; and secondly, how to save the environment by using technology that promotes recycling of used materials. Rare earth ; Biomass (ecology) ; Biology ; Environmental science ; Chemistry ; Mineralogy ; Ecology Radioactive element chemistry and processing ; Coal and Its By-products ; Hydrocarbon exploration and reservoir analysis
Authors: Dylan Jennings | Moritz L. Weber | Ansgar Meise | Tobias Binninger | Conor Jason Price | Moritz Kindelmann | Ivar E. Reimanis | Hiroaki Matsumoto | Pengfei Cao | Regina Dittmann | Piotr M. Kowalski | Marc Heggen | Olivier Guillon | Joachim Mayer | Felix Gunkel | Wolfgang Rheinheimer
Source: Nature Communications (article, 2025-07-24)
Field: Materials Science — Materials Chemistry

Direct atomic-scale investigation of the coarsening mechanisms of exsolved catalytic Ni nanoparticles Exsolution-active catalysts allow for the formation of highly active metallic nanoparticles, yet recent work has shown that their long-term thermal stability remains a challenge. In this work, the dynamics of exsolved Ni nanoparticles are probed in-situ with atomically resolved secondary electron imaging with environmental scanning transmission electron microscopy. Pre-characterization shows embedded NiO<sub>x</sub> nanostructures within the parent oxide. Subsequent in-situ exsolution demonstrates that two populations of exsolved particles form with distinct metal-support interactions and coarsening behaviors. Nanoparticles which precipitate above embedded nanostructures are observed to be more stable, and are prevented from migrating on the surface of the support. Nanoparticle migration which fits random-walk kinetics is observed, and particle behavior is shown to be analogous to a classical wetting model. Additionally, DFT calculations indicate that particle motion is facilitated by the support oxide. Ostwald ripening processes are visualized simultaneously to migration, including particle redissolution and particle ripening. Ostwald ripening ; Materials science ; Nanoparticle ; Particle (ecology) ; Wetting ; Chemical physics ; Nanostructure ; Oxide ; Transmission electron microscopy ; Nanotechnology ; Chemical engineering ; Kinetics ; Chemistry ; Geology ; Metallurgy ; Composite material ; Physics Copper-based nanomaterials and applications ; Catalytic Processes in Materials Science ; nanoparticles nucleation surface interactions
Authors: Hassan Azzan | Killian Gmyrek | David Danaci | Ashwin Kumar Rajagopalan | Camille Petit | Ronny Pini
Source: Adsorption (article, 2025-01-31)
Field: Chemistry — Inorganic Chemistry

Effective macropore diffusivity of carbon dioxide on binderless pellets of Y-type zeolites The online version contains supplementary material available at 10.1007/s10450-025-00599-3. Pellets ; Thermal diffusivity ; Carbon dioxide ; Macropore ; Materials science ; Porosity ; Chemical engineering ; Mineralogy ; Environmental science ; Chemistry ; Composite material ; Mesoporous material ; Organic chemistry Zeolite Catalysis and Synthesis ; Catalysis and Oxidation Reactions ; Membrane Separation and Gas Transport
Authors: M. H. N. Revon | Namal Priyantha
Source: Discover Chemistry. (article, 2025-05-24)
Field: Materials Science — Materials Chemistry

Interference of solution constituents on corrosion inhibition of phosphate species on Grade 202 stainless steel Strong corrosion resistance of Grade 202 stainless steel (202 SS) in mild acidic conditions is attributed to the presence of chromium which forms a passive surface film of chromium oxide which inhibits corrosion. Additionally, the deposition of polymer coatings, polymer composites with nanomaterials as well as organic compounds containing hetero atoms such as N, O, S, and P on 202 SS leads to high corrosion inhibition efficiency. Nevertheless, the corrosion stability of 202 SS in certain environments, especially under aggressive conditions, is questionable. Investigation of the impact of different chemical constituents under moderate and aggressive acidic conditions on the corrosion of 202 SS, however, has not received sufficient attention despite the widespread use of 202 SS-based machinery in industrial applications. Although the corrosion-inhibitory action of phosphate species on 202 SS has been documented, detailed investigation, especially in the presence of interferents, has not been given due consideration. As such, corrosion inhibition efficiency of HNO3 and H3PO4 of different concentrations on 202 SS, and the impact of chloride ions and various phosphate species, namely PO43−, HPO42− and H2PO4−, on the extent of corrosion of 202 SS would be the industrially important innovative aspect of this study. Weight loss measurements of rectangular stainless-steel specimens immersed separately in HNO3 and H3PO4 acid solutions under ambient conditions conclusively demonstrate the superior corrosion inhibitory behavior of H3PO4 over HNO3 on 202 SS. This inhibitory behavior is evident even in chloride-rich environments under low acidic conditions despite pitting corrosion of chloride species. Polarization resistance determined by Nyquist plots further supports the corrosion inhibitory action of H3PO4 on 202 SS, while open circuit measurements indicate the strong correlation between H3O+ and surface characteristics. The corrosion rate in 0.25 M HCl (7.20 mmpy) is almost 99.92% higher than that in 0.25 M Na3PO4 (5.45 × 10–4 mmpy), indicating that hydrochloric acid has a more severe corrosive effect on steel than sodium phosphate. The order of corrosion inhibition ability of phosphate species on 202 SS, as determined by weight loss measurements, electrochemical impedance spectroscopy, and Tafel slope analysis follows the order, Na3PO4 > Na2HPO4 $$\sim$$ NaH2PO4 > H3PO4. Highlights Phosphate ; Interference (communication) ; Corrosion ; Metallurgy ; Materials science ; Chemistry ; Biochemistry ; Computer science ; Telecommunications Corrosion Behavior and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals ; Concrete Corrosion and Durability
Authors: Thanasis Athanasiou | Baicheng Mei | Kenneth S. Schweizer | George Petekidis
Source: Soft Matter (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Probing cage dynamics in concentrated hard-sphere suspensions and glasses with high frequency rheometry The cage concept, a central microscopic mechanism for glassy dynamics, has been utilized in concentrated colloidal suspensions to describe a number of phenomena. Here, we probe the evolution of cage formation and shear elasticity with increasing volume fraction in hard sphere suspensions, with emphasis on the short-time dynamics. To this end, we utilize linear viscoelastic (LVE) measurements, by means of conventional rotational rheometers and a home-made HF piezo-rheometer, to probe the dynamic response over a broad range of volume fractions up to the very dense glassy regime in proximity to random close packing. We focus on the LVE spectra and times shorter than those corresponding to the dynamic shear modulus <i>G</i>' plateau, where the system approaches transient localization and cage confinement. At these short times (higher frequencies), a dynamic cage has not yet fully developed and particles are not (strictly) transiently localized. This corresponds to an effective solid-to-liquid transition in the LVE spectrum (dynamic moduli) marked by a high frequency (HF) crossover. On the other hand, as the volume fraction increases caging becomes tighter, particles become more localized, and the onset of the localization time scale becomes shorter. This onset of transient localization to shorter times shifts the HF crossover to higher values. Therefore, the study of the dependence of the HF crossover properties (frequency and moduli) on volume fractions provides direct insights concerning the onset of particle in-cage motion and allows direct comparison with current theoretical models. We compare the experimental data with predictions of a microscopic statistical mechanical theory where qualitative and quantitative agreements are found. Findings include the discovery of microscopic mechanisms for the crossover between the two exponential dependences of the onset of the localization time scale and the elastic shear modulus at high volume fractions as a consequence of emergent many body structural correlations and their consequences on dynamic constraints. Moreover, an analytic derivation of the relationship between the high frequency localized short-time scale and the elastic shear modulus is provided which offers new physical insights and explains why these two variables are experimentally observed to exhibit nearly-identical behaviors. Rheometry ; Dynamics (music) ; Materials science ; Rheology ; Suspension (topology) ; Cage ; Physics ; Composite material ; Acoustics ; Engineering ; Mathematics ; Structural engineering Material Dynamics and Properties ; Rheology and Fluid Dynamics Studies ; Granular flow and fluidized beds
Authors: Tarek Ihaddadene | J. Claverie | François Bignonnet | Ouali Amiri
Source: Cement and Concrete Research (article, 2025-10-04)
Field: Materials Science — Ceramics and Composites

Diffusion and physicochemical behavior of chloride and sodium ions in C-S-H gel pores : A molecular dynamics investigation Calcium silicate hydrate (C-S-H) gel is an amorphous material with a complex, disordered structure that complicates the understanding of its atomic-scale properties. While many studies have investigated ionic diffusion in C-S-H pores, the behavior of sodium ( ) and chloride ( ) ions, particularly in relation to the Ca/Si ratio, is not well understood. In this study, atomistic models of C-S-H were developed with varying Ca/Si ratios, pore sizes, and NaCl concentrations. Molecular dynamics simulations were used to calculate the self-diffusion profiles of and ions. Results indicate that pore size strongly affects diffusivity and adsorption through confinement and electrical double layer effects. The solid surface influences ionic mobility up to approximately 1.2 nm. The Ca/Si ratio has minimal impact on the diffusion profiles of non-adsorbed ions, but its rise enhances mobility near the surface and increases chloride binding capacity, consistent with prior studies. Diffusion ; Ionic bonding ; Molecular dynamics ; Calcium silicate hydrate ; Thermal diffusivity ; Sodium ; Amorphous solid ; Chloride ; Ion Glass properties and applications ; Zeolite Catalysis and Synthesis ; Clay minerals and soil interactions
Authors: Bediha Akmeşe
Source: BMC Chemistry (article, 2025-04-16)
Field: Chemistry — Analytical Chemistry

Removal of Brilliant Blue R and Victoria Blue R dyes from textile wastewater by adsorption method using pomegranate peel This study investigated the removal of Brilliant Blue R (BBR) and Victoria Blue R (VBR), commonly used dyes in the textile industry, from wastewater using the pomegranate peel with an adsorption method. Pomegranate peel was characterized by using X-ray diffraction (XRD), Brunauer, Emmet ve Teller (BET), scanning electron microscopy (SEM), Fourier transform infrared spectrophotometer (FT-IR), thermogravimetric analysis (TGA), and zeta potential. For both dyes, pH, adsorbent amount, contact time, salt effect, and wastewater parameters were investigated in the batch system, while adsorbent amount and flow rate parameters were investigated in the continuous system. The adsorption results of both dyes on pomegranate peel indicate that they fit the pseudo-second-order kinetic model. The adsorption isotherms of both dyes were found to be compatible with the Langmuir isotherm model. In the thermodynamic study, it was determined that the adsorption process was spontaneous (∆G°<0) and exothermic (∆H°<0). It was decided that pomegranate peel is a suitable adsorbent for the adsorption of BBR and VBR dyes. Finally, the adsorption yields for removing BBR and VBR from wastewater using pomegranate peel were 90.38% and 100%, respectively. This result shows that the high adsorption efficiency obtained for both dyes makes it possible for pomegranate peel to be widely applied as an adsorbent in wastewater treatment. Textile ; Brilliant green ; Adsorption ; Wastewater ; Pulp and paper industry ; Art ; Chemistry ; Nuclear chemistry ; Environmental science ; Materials science ; Environmental engineering ; Organic chemistry ; Engineering ; Composite material Dye analysis and toxicity ; Adsorption and biosorption for pollutant removal
Authors: M.M. Almeida | Alberto Adán-Más | P. Arévalo-Cid | Lorena Alcaraz | Félix A. López | Teresa M. Silva | M.F. Montemor
Source: Materials Today Sustainability (article, 2025-01-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Refurbished zinc manganese oxides from waste batteries as a supercapacitor asymmetric cell: A second life to battery waste Alkaline Zn/C batteries are major market players in the portable battery sector that produce an overwhelming amount of waste which is a major cause of soil contamination. These batteries, however, contain metal compounds of relevance, whose recycling enables an important source of raw materials for new electrochemical energy storage devices. However, novel recycling solutions require the development of simple pathways to deliver ready-to-use active materials for immediate application in energy storage systems, thus contributing towards waste revalorization and circular economy development. In this work, an asymmetric supercapacitor cell assembled with electrodes made of recycled Zinc–Manganese oxide and commercial carbon YP50, was tested in Na 2 SO 4 electrolyte. The results evidenced an exceptional cycling stability over 5000 cycles with 91% long-term capacitance retention, a high capacitance of 12.9 F/g (1 A/g) and a power density of 4.12 kW/kg (10 A/g), with 88% high-rate capability. The electrodes made with the recovered materials were fully characterized using 3D electrochemical impedance spectroscopy (EIS) mapping to detail the mechanisms governing the electrochemical response of the cell. This approach evidenced a surface-based pseudocapacitive mechanism where the charging process dictates the overall performance of the cell. The excellent performance of the recycled materials will certainly encourage circular economy and future waste-recovery initiatives, aiding in the sustainable development of future energy storage materials. Supercapacitor ; Battery (electricity) ; Manganese ; Zinc ; Waste management ; Materials science ; Environmental science ; Metallurgy ; Chemistry ; Engineering ; Electrode ; Electrochemistry Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Advancements in Battery Materials
Authors: Roshan Akdar Mohamed Yunus | Utku Gürel | Aleksander Guzik | Philippe Dieudonné-George | Marc C. A. Stuart | Christos N. Likos | Patrizio Raffa | Domenico Truzzolillo | Andrea Giuntoli | Daniele Parisi
Source: Macromolecules (article, 2025-04-30)
Field: Materials Science — Materials Chemistry

Glass Transition and Yielding of Ultrasoft Charged Spherical Micelles Colloids are widely used as model systems to study the glass transition, with much research focused on hard or soft neutral colloids and their mixtures. However, the glass transition of soft-charged spherical colloids and its dynamic effects remain underexplored. This study assesses the glass transition of polymeric multiarm charged soft colloids using shear rheology, coarse-grained molecular dynamics (MD) simulations, and X-ray scattering. Strong particle-particle correlations, driven by electrostatic interarm repulsion, inhibit Newtonian behavior in the dilute regime. The liquid-to-glass transition occurs at just 0.25 wt %, marked by weak caging and minimal interdigitation of arms, as evidenced by particle contact analysis in MD simulations and the strong frequency dependence of the dynamic moduli. Particle shells interdigitate only well within the glassy regime, leading to a nearly frequency-independent rheological response. The weak volume fraction dependence of the yield stress sets these charged systems among the softest colloids reported in the literature. Micelle ; Glass transition ; Materials science ; Chemical physics ; Polymer science ; Chemical engineering ; Polymer chemistry ; Chemistry ; Polymer ; Composite material ; Physical chemistry ; Aqueous solution ; Engineering Material Dynamics and Properties ; Cultural Heritage Materials Analysis ; Surfactants and Colloidal Systems
Authors: Pu Li | Qing Zhang | Fang Ye | Laifei Cheng | Guangda Guo
Source: International Journal of Applied Ceramic Technology (article, 2025-02-13)
Field: Materials Science — Ceramics and Composites

Rare earth silicate in SiC <sub>f</sub> /SiC composites: Toward water‒oxygen corrosion resistance in high‐temperature gas environment Abstract Silicon carbide fiber‐reinforced silicon carbide ceramic matrix (SiC f /SiC) composites are considered as one of the preferred materials for aero‐engine hot‐end components; however, they will face serious performance degradation when exposed to the complex and harsh environment of high temperature and water‒oxygen corrosion coupling. How to solve the problem of SiC f /SiC composites is a growing concern in the international community. Rare earth silicate materials usually have the advantages of good high‐temperature stability, low oxygen permeability constant, and thermal expansion coefficient matching with SiC, which are internationally recognized as the preferred systems for the new generation of environmental barrier coatings (EBCs); meanwhile, the use of rare earth compounds for matrix modification of SiC f /SiC composites to improve their resistance to water‒oxygen corrosion has gained wide attention. Therefore, the recent progress in rare earth silicate EBCs and modified SiC f /SiC composites are reviewed. Finally, the challenges and prospects of rare earth silicate in improving the water‒oxygen corrosion resistance of SiC f /SiC composites are presented. Materials science ; Corrosion ; Silicate ; High-temperature corrosion ; Rare earth ; Oxygen ; Composite material ; Metallurgy ; Chemical engineering Advanced ceramic materials synthesis ; Magnesium Oxide Properties and Applications ; Aluminum Alloys Composites Properties
Authors: Hugo Bouteiller | Razvan Burcea | Charlotte Poterie | Danièle Fournier | Fabien Giovannelli | Johan Nyman | Younès Ezzahri | S. Dubois | Per Eklund | Arnaud le Febvrier | J. F. Barbot
Source: Communications Materials (article, 2025-02-15)
Field: Materials Science — Materials Chemistry

Improving the thermoelectric performance of scandium nitride thin films by implanting helium ions Abstract Ion implantation is a widely used technique to introduce defects in low-dimensional materials and tune their properties. Here, we investigate the thermoelectric properties of scandium nitride thin films implanted with helium ions, revealing a positive impact of defect engineering on thermoelectric performance. Transport properties modeling and electron microscopy provide insights on the defect distribution in the films. The electrical resistivity and Seebeck coefficient increase significantly in absolute values after implantation and partially recover upon annealing as some of the implantation-induced defects heal. The thermal conductivity decreases by 46 % post- implantation due to the formation of extended defects and nanocavities. Consequently, the thermoelectric figure of merit zT doubles for the sample annealed at 673 K. These findings highlight the potential of controlled ion implantation to enhance thermoelectric properties in thin films, paving the way for further optimization through defect engineering. Thermoelectric effect ; Materials science ; Ion implantation ; Seebeck coefficient ; Annealing (glass) ; Electrical resistivity and conductivity ; Thin film ; Optoelectronics ; Nitride ; Scandium ; Thermoelectric materials ; Ion ; Helium ; Thermal conductivity ; Nanotechnology ; Composite material ; Metallurgy ; Chemistry ; Thermodynamics ; Electrical engineering Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Electronic and Structural Properties of Oxides
Authors: Ana-Maria Florea | Stefan Caramizoiu | Ana‐Maria Iordache | Stefan-Marian Iordache | Bogdan Biță
Source: Solids (article, 2025-05-20)
Field: Materials Science — Materials Chemistry

Solid-State Materials for Opto-Spintronics: Focus on Ferromagnets and 2D Materials Opto-spintronics is an emerging field that focuses on harnessing light to manipulate and analyze electron spins to develop next-generation electronic devices. This paper explores recent progress and the role of solid-state materials in opto-spintronics by focusing on key classes of materials, such as ferromagnetic semiconductors, two-dimensional (2D) transition metal dichalcogenides (TMDCs), and topological insulators. It examines the unique properties of ferromagnetic and antiferromagnetic materials and their ability to interact with light to affect spin dynamics, offering potential for improved sensing and quantum computing. By combining opto-spintronics with solid-state systems, spintronic devices could become faster and more efficient, leading to new technological advancements and scalable technologies. Spintronics ; Ferromagnetism ; Focus (optics) ; Solid-state ; Materials science ; State (computer science) ; Nanotechnology ; Engineering physics ; Condensed matter physics ; Computer science ; Physics ; Optics 2D Materials and Applications ; ZnO doping and properties ; Nanowire Synthesis and Applications