jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Chuqiao Hu | Guangli Zhang | Qicheng Duan | Yumeng Bai | Luoming Shen | Yuqi Jia | Zhe Zhang | Peilun Qiu | Di Wu | Ce Fu | Xiaodan Wang | Jianqiao Liu
Source: Smart Materials and Devices (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Advances in surface-modification-driven functional MXenes for multidisciplinary applications MXenes, as emerging two-dimensional transition metal carbides/nitrides, have shown considerable potential in multiple fields due to their high electrical conductivity, tunable surface functional groups, and excellent interfacial properties. However, inherent limitations, such as limited band structure modulation, single terminal functionality, and susceptibility to oxidation, hinder their further development in complex application scenarios. Surface modification engineering, which regulates the chemical termination and interfacial microenvironment of MXenes, has become a key strategy to break through these performance boundaries and impart multifunctionality. This review systematically summarizes the latest research advances in surface-modification-driven functionalization of MXenes. It focuses on modification strategies and structural tuning, with particular emphasis on the effects of surface functional group modulation on their electronic structure, interfacial charge distribution, and ion transport behavior. Furthermore, the innovative applications of functionalized MXenes in fields such as optoelectronic detection, electrocatalysis, energy storage, and biomedicine are summarized. Finally, the challenges faced by surface modification are outlined, and prospects for future development toward atomic-level precision control and multifunctional integration are discussed, providing theoretical support and technical guidance for the transition of MXenes from basic research to practical applications. MXenes ; Surface modification ; Biomedicine ; Multidisciplinary approach ; Key (lock) ; Mechanism (biology) MXene and MAX Phase Materials ; 2D Materials and Applications ; Graphene research and applications
Authors: Yang Xu | Yi Guo | Han Ma | Dianchun Ju | Jiming Zhang | Xianjun Hu | Chuanbo Zheng
Source: Arabian Journal of Chemistry (article, 2025-11-17)
Field: Materials Science — Materials Chemistry

Evaluation of ethylenediamine tetramethylene phosphonic sodium and zinc salts as a pipeline corrosion inhibitor via experimental and theoretical methods The performance of ethylenediamine tetramethylene phosphonic sodium (EDTMPS) in combination with zinc gluconate (ZnGL) for corrosion inhibition on X65MS pipeline steel in H 2 S corrosion simulation environments was thoroughly examined using both experimental and theoretical methods. Various techniques, including weight loss measurements, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), and surface characterization methods like scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy-dispersive spectroscopy (EDS), demonstrated that the combination of ZnGL and EDTMPS displayed a notable synergistic effect on inhibition. The analysis of polarization curves showed a considerable decrease in corrosion current density ( i corr ) from 3.948 μA/cm 2 to 0.307 μA/cm 2 , resulting in an impressive inhibition efficiency of 92.22%. Additionally, the corrosion potential ( E corr ) shifted from -750.25 mV to -769.60 mV, indicative of a mixed-type inhibition mechanism. Further electrochemical findings revealed a significant increase in charge transfer resistance ( R ct ) from 260 Ω cm 2 to 3445 Ω cm 2 , along with a reduction in double-layer capacitance, implying the development of a robust protective film. Surface analysis supported the identification of Zn(OH) 2 and Fe-Zn-EDTMPS complexes, while quantum chemical computations and molecular dynamics (MD) simulations clarified the adsorption mechanism, emphasizing the significance of nitrogen and phosphonic acid groups in establishing stable coordination bonds. This research positions ZnGL-EDTMPS as a viable environmentally friendly inhibitor for pipeline steel in H 2 S conditions, providing valuable insights into its dual physical-chemical adsorption mechanism and practical utility. Corrosion ; Dielectric spectroscopy ; Corrosion inhibitor ; Electrochemistry ; Zinc ; Ethylenediamine ; Adsorption Corrosion Behavior and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals ; Concrete Corrosion and Durability
Source: Journal of Bio Innovation (article, 2025-12-14)
Field: Chemistry — Organic Chemistry

NANOCATALYSTS-NOVEL NANOENTITIES Because of their special qualities, nanocatalysts are employed to accelerate catalytic reactions. It is a better option for catalysis because of features like exposed active sites and a larger surface area than conventional catalysts. Metal, metal oxide, and hybrid nanocatalysts are the three standard categories for nanocatalysis. For example, metal nanocatalysts, such as palladium nanoparticles, have a large surface area and are highly dispersible, which significantly boosts reaction rates. While metal oxides, like CoFe2O4, have a high degree of thermal stability, hybrid systems combine the best features of both to improve reactivity and selectivity in a variety of applications, such as oxidative desulfurization. Nanomaterial-based catalyst ; Catalysis ; Palladium ; Selectivity ; Metal Nanomaterials for catalytic reactions ; Catalysis and Hydrodesulfurization Studies ; Chemical and Physical Properties of Materials
Authors: Muddasir Hanif | Mu Yang | Huihui Zhao | Tariq Usman | Mahrukh Mahrukh | Xuecheng Cao
Source: Arabian Journal of Chemistry (article, 2025-12-11)
Field: Chemistry — Organic Chemistry

Eco-friendly preparation and testing of electroactive quinoxalines Green manufacturing of electroactive molecules is a central pillar of innovation due to sustainability, consumer safety, and functional properties. Quinoxalines are important in biology (bacterial reactions, anticancer medicine), chemistry (manufacturing), material science, and optoelectronics (OLEDs, solar cells, batteries, SCs). This research explored eco-friendly preparation and testing of 5-electroactive quinoxalines. We utilized a vertical ultrasound-horn attached to the VCX-750 instrument to discover the green synthesis of electroactive quinoxalines. The method (45 min @RT) utilized green-solvent (CH 3 COOH) for both the synthesis and purification, leaving no harmful byproduct wastes. The purity of five different quinoxalines was confirmed through the UV-Vis spectroscopy, elemental analysis, and nuclear magnetic resonance ( 1 H NMR (500 MHz) and 13 C NMR (125 MHz)). The electroactivity and electronic reversibility were investigated through voltammograms (Current-Voltage curves) that provided data showing the reversible (in-out) electron transfer. All five quinoxalines indicated a negative scan, reversible electron-transfer; therefore, these quinoxalines will be useful as the negative electrode in the charge-storage materials (Supercapacitors and flow-batteries). Based on the experimental reduction formal potential ( E o red ), the Qx-3 and Qx-4 are the best candidates to widen the negative potential windows, while the Qx-5 is suitable to shorten the negative potential window. The experimental results are important for green processing in chemistry, material science, and reversible electroactivity is required for the charge-storage materials. Molecule ; Pillar ; Supercapacitor ; Proton NMR ; Quinoxaline ; Green chemistry Synthesis and Biological Evaluation ; Carbon Nanotubes in Composites ; Nanomaterials for catalytic reactions
Authors: Maham Nasir | Sadaf Sarfraz | Shahzada Khurram Syed | Shabbir HUSSAIN | Muhammad Saqib | Atif Liaqat | Khurram Shahzad Munawar | Sami Ullah | Muhammad Sagir | Syed Mustansar Abbas
Source: Arabian Journal of Chemistry (article, 2025-12-22)
Field: Materials Science — Materials Chemistry

<i>Bauhinia variegata</i> mediated Co <sub>3</sub> O <sub>4</sub> and Co <sub>3</sub> O <sub>4</sub> @CNT nanomaterials: Electrochemical and antibacterial studies A green route was established for the synthesis of cobalt oxide, i.e., Co 3 O 4(aq) and Co 3 O 4(et) nanoparticles (NPs) by treating cobalt(II) nitrate hexahydrate with aqueous and ethanolic extracts, respectively, of Bauhinia variegate leaves. The synthesized NPs were sonicated with carbon nanotubes (CNTs) in different (97:3, 94:6, and 91:9) ratios to produce Co 3 O 4(aq) @CNT 1 , Co 3 O 4(aq) @CNT 2 , Co 3 O 4(aq) @CNT 3 , Co 3 O 4(et) @CNT 1 , Co 3 O 4(et) @CNT 2 , and Co 3 O 4(et) @CNT 3 nanocomposites (NCs). The structural, morphological, and thermal studies of the nanomaterials (NMs) were performed by X-ray diffraction (XRD), Fourier-transform infrared (FTIR), UV-Visible, scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and DSC analyses. The average crystalline sizes of Co 3 O 4(aq) (22.54 nm) and Co 3 O 4(et) (20.48 nm) were decreased to 13.73-16.82 nm and 16.08-19.47 nm, respectively, in their respective CNT decorated NC counterparts. The NMs derived from aqueous and ethanolic extracts of B. variegate leaves have shown band gaps in the ranges of 4.74-5.15 and 5.1-5.36 eV, respectively. SEM analysis revealed irregular, spherical, and porous morphologies, except for Co 3 O 4(et) , which was highly agglomerated. CNTs were well-dispersed within the Co 3 O 4 matrix, forming smooth surfaces and enhancing electrical conductivity. The average particle sizes ranged from 22.81 to 54.65 nm. The electrochemical potential of the synthesized NMs was tested by cyclic voltammetry (CV) and galvanostatic charge-discharge (GCD). All the NMs have shown oxidation and reduction peaks, elaborating their reversible charging and discharging behavior and their possible applications for battery. Co 3 O 4et) @CNT 3 exhibited the highest specific capacitance value of 989.25 F g⁻ 1 , showcasing its exceptional potential as a supercapacitor (SC) material. All the synthesized NMs except Co 3 O 4(aq) have shown significant antibacterial potential (ZOI = 9-13mm) as compared to tetracycline (ZOI = 21mm) against Bacillus subtilis (Gram-positive) by disc diffusion method. Thermogravimetric analysis ; Aqueous solution ; Cyclic voltammetry ; Electrochemistry ; Cobalt ; Carbon nanotube ; Scanning electron microscope ; Nanocomposite ; Nanomaterials Copper-based nanomaterials and applications ; Nanoparticles: synthesis and applications ; Supercapacitor Materials and Fabrication
Authors: Xing Liu | Bingyan Liu | Yunyan Wu | Longxin Hu
Source: Arabian Journal of Chemistry (article, 2025-09-08)
Field: Materials Science — Materials Chemistry

Facile synthesis of water-soluble Schiff-base polymers for photocatalytic H<sub>2</sub> production from water Solar photocatalysis for splitting water to produce hydrogen has gained recognition as a promising technology for H 2 generation. The linchpin of realizing this technology lies in developing effective, cost-effective, and practical photocatalysts. Polymeric photocatalysts have gained prominence compared to semiconductor ones, owing to their high structural versatility and tunable band gaps. In our current research, we synthesized two straightforward polymers (UP-1 and UP-2) using Schiff-base chemistry through a one-step hydrothermal process with urea (UA) and p-phthalaldehyde (PPA) as monomers. Specifically, UP-1 (UA:PPA = 1:1) features an imine (–C=N–) structure, whereas UP-2 (UA:PPA = 2:1) predominantly comprises an aminal (N–C–N) structure. The photocatalytic hydrogen production capabilities of UP-1 and UP-2 were assessed at room temperature, utilizing Pt as a cocatalyst and triethanolamine (TEOA) as an electron donor. Notably, UP-1 exhibits a H 2 generation rate of 7.60 mL·h −1 ·g −1 , significantly outperforming that of UP-2 (4.89 mL·h −1 ·g −1 ). It was postulated that UP-1’s imine structure possesses a superior conjugation, facilitating the generation of more photoelectron (e − )-hole (h + ) pairs upon light irradiation and enabling smoother carrier migration compared to UP-2’s aminal structure. The work anticipates contributing to advancements in the generation of “gren H 2 ” through solar photocatalysis using synthetically accessible polymers. Photocatalysis ; Triethanolamine ; Aminal ; Polymer ; Hydrogen production ; Imine ; Hydrothermal circulation Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Aashish Tharu Gamuwa | Jahanvi Saini
Source: INTERANTIONAL JOURNAL OF SCIENTIFIC RESEARCH IN ENGINEERING AND MANAGEMENT (article, 2025-11-24)
Field: Materials Science — Materials Chemistry

Graphene for Next-Generation Technologies: Properties, Challenges, and Future Prospects Abstract Graphene is a one-atom thin carbon material with excellent electrical, mechanical and thermal properties and one of the most prospective substances in the modern science. Its excellent features help in the high-speed and all-purpose electronic gear, advanced batteries, water purification membranes, biomedical and new quantum inventions. The present paper examines the fundamental properties which make graphene a unique material and also discusses the current developments with the large-scale production processes like the chemical vapor deposition, roll-to-roll, production, laser induced reduction, and flash Joule heating. It also highlights the significant problems that still have to be resolved such as bringing the uniform large-area films into reality, stability in the long term, reduction of the production costs, environmental and health concerns. By analyzing the latest trends and developments, this work illustrates the way in which graphene is slowly becoming a key material of technologies of the future that will be intelligent, efficient and sustainable. Keywords: Graphene, Next-Generation Technologies, Applications, Properties Graphene ; Joule (programming language) ; Carbon fibers ; Work (physics) ; Thermal stability ; Production (economics) ; Materials processing ; Chemical vapor deposition Graphene research and applications ; Graphene and Nanomaterials Applications ; Chemical and Physical Properties of Materials
Authors: Felicia Daniela Cannavacciuolo | Giuseppe Antinucci | Roberta Cipullo | Vincenzo Busico
Source: Molecules (article, 2025-05-15)
Field: Chemistry — Inorganic Chemistry

Probing the Interaction of Diester Internal Donors (ID) with AlEt3 on Ziegler-Natta Surfaces: A Comparison Between Binary (MgCl2/ID) and Ternary (MgCl2/ID/TiCl4) Formulations Organic electron donors are essential components of Ziegler-Natta (ZN) catalysts to produce isotactic polypropylene. In particular, aromatic or aliphatic diesters are widely used as 'Internal Donors' (ID) in MgCl<sub>2</sub>/ID/TiCl<sub>4</sub> precatalyst formulations. Diesters are reactive with AlEt<sub>3</sub> (by far the most common ZN precatalyst activator) and are partly removed from the solid phase in the early stages of the polymerization process; this is detrimental for catalyst functioning, and a surrogate donor ('External Donor' (ED), usually an alkoxysilane) is added to the system to restore performance. Recent studies, however, demonstrated that even in cases where most of the diester is extracted by AlEt<sub>3</sub>, the active sites retain a 'memory' of it in several aspects of the catalytic behavior (such as, e.g., the average productivity and the polydispersity index of the polymer produced). Considering that the residual diester is always in molar excess with respect to the active Ti, one may speculate that long-lasting interactions between the latter and diester molecules can occur. In turn, this should imply that the reactivity of AlEt<sub>3</sub> is different with binary MgCl<sub>2</sub>/ID or ternary MgCl<sub>2</sub>/ID/TiCl<sub>4</sub> mixtures. In this work, the latter hypothesis was explored for a library of diester IDs with large structural diversity. In line with the anticipation, the fractional amount of ID extracted by AlEt<sub>3</sub> was generally lower for ternary mixtures, although to an extent exquisitely dependent on diester structure. Natta ; Ternary operation ; Binary number ; Chemistry ; Ziegler–Natta catalyst ; Physical chemistry ; Materials science ; Inorganic chemistry ; Polymer chemistry ; Chemical engineering ; Catalysis ; Organic chemistry ; Polymerization ; Polymer Inorganic Chemistry and Materials ; Ammonia Synthesis and Nitrogen Reduction ; MXene and MAX Phase Materials
Authors: Yinlin Shen | Zhaoming Liu
Source: Chinese Journal of Chemistry (article, 2025-12-22)
Field: Materials Science — Polymers and Plastics

Inorganic Ionic Compound Materials with Structural Flexibility <sup>†</sup> Comprehensive Summary Inorganic ionic compounds are widely existed in nature and applied in construction, energy, biomedical and optical fields. However, the inherent ionic bonding characteristics lead to brittle fracture of these inorganic materials under mechanical force, which significantly limits their application scopes. Overcoming the inherent brittleness of these materials represents a long‐standing challenge in chemistry and materials science. In recent years, significant advances have been made to turn inorganic materials into flexible ones. In this review, we summarize the emerging strategies for enhancing the flexibility ( e.g ., deformability, resilience, plasticity, ductility, etc. ) of inorganic materials composited by inorganic ionic compounds, by the regulation of bulk solid phase structures and morphologies. For the regulation of bulk solid phase structures, specific strategies involve regulating ionic bonding and slip systems, alongside leveraging dynamic phase transition. Among these, modulating ionic bonds reduces the stiffness of inorganic ionic materials by weakening the interactions between ions, thereby enhancing their moldable ability. Regulating slip systems improves ductility and plasticity by increasing dislocation density and the number of effective slip systems while maintaining the integrity of structure to facilitate slip. Utilizing dynamic phase transition of materials enhances plasticity by dissipating stress through stress‐ or thermally‐induced dynamic cyclic phase transformations. For the regulation of morphologies, approaches focus on constructing nanowires, sub‐1 nm architectures, and molecular‐scale structures. High aspect ratios and amplified surface effects endow one‐dimensional nanowires with exceptional bending flexibility. This feature becomes even more pronounced in sub‐1 nm and molecular‐scale structures, even imparting polymer‐like characteristics. In this review, we aim to deepen the fundamental understanding in turning brittle inorganic ionic compounds to flexible one from a structural‐property relationship view, and creates avenues for their potential applications in structural materials, flexible electronics and novel biomaterials. Key Scientists Ionic bonding ; Brittleness ; Slip (aerodynamics) ; Plasticity ; Nanomaterials ; Phase (matter) ; Stiffness ; Flexibility (engineering) Polymer Nanocomposites and Properties ; Dielectric materials and actuators ; Polymer composites and self-healing
Authors: Aisha N. Bismillah | Alessandro Bismuto | Anna K. Blakney | Sebastien J. P. Callens | Céline Calvino | Stefano Crespi | Ricardo Cruz-Acuña | Andrew Daly | Locke Davenport Huyer | Jamie H. Docherty | Liam Donnelly | Joel A. Finbloom | Pratik Gurnani | R. Hein | Jennifer Johnstone-Hack | Susan E. Leggett | Nadine Leisgang | Jason Y.C. Lim | Kevin Neumann | Liliang Ouyang | Omar Rifaie-Graham | Charles Romain | Rebecca J. Salthouse | Baihao Shao | Flávia Sousa | Arnaud Thevenon | Ryojun Toyoda | Alexander E. Vlahos | Christina Wegeberg | Jonathan P. Wojciechowski | Ruoxiao Xie | Rong Yang | Jonathan Yeow | Parisa Yousefpour | Nattawut Yuntawattana | Qi Zhang | Connor J. R. Wells
Source: Matter (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

35(+1) challenges in materials science being tackled by PIs under 35(ish) in 2025 Diversity (politics) ; Set (abstract data type) ; Pyramid (geometry) ; Cohort ; Emerging technologies Machine Learning in Materials Science ; MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials
Authors: Subrata Karmakar | G. Anil Kumar | K. Kumar Angajala | Chetan D. Mistari | M Amrutha | Pallab Kumar Sarkar | Saif Taqy | Brahmananda Chakraborty | Mahendra A. More | Ariful Haque
Source: Scientific Reports (article, 2025-11-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fertile Field Emission Response in Scrambled SmNiO3 Nanopins <title>Abstract</title> This present work focuses on the synthesis of scrambled SmNiO <sub>3</sub> nanopins by the hydrothermal route, structural and morphological characterizations, and observing their potential electric field emission response with density functional theory (DFT) study. The Rietveld refinement of X-ray diffraction (XRD) and Raman characterization study reveals an orthorhombic phase (space group <italic>Pnma</italic> , No. 62) of SmNiO <sub>3</sub> , along with Raman-active NiO <sub>6</sub> octahedral vibrational modes and Sm-O lattice motion. The high-resolution scanning and tunneling electron microscopy images exhibit monodispersed hierarchically self-assembled pin-like surface morphology with a crystal lattice spacing of 3.16 Å for 110 planes, which offers exceptional field emission response. The chemical states of Sm, Ni, and O were interpreted by X-ray photoelectron (XPS) spectroscopy in + 3 oxidation states (4f <sup>5</sup> configuration), mixed Ni³⁺/Ni²⁺ valence states, and − 2 lattice and defect states, respectively. The current density (J) vs. electric field (E) plots demonstrate a maximum field emission current density ~ 30 µA/cm <sup>2</sup> @ 8.4 V/µm, and very enduring field emission current stability was observed over a long period of time, 3 h 20 min, with bright field emission fringes. Very low turn-on (E <sub>turn−on</sub> ) and threshold (E <sub>threshold</sub> ) were discerned ~ 5.1 V/µm @1 µA/cm <sup>2</sup> and ~ 7.64 V/µm @10 µA/cm <sup>2</sup> from J-E curves. The local work function (φ) was calculated to be ~ 5.13 eV by density functional theory (DFT) calculations, and the field enhancement factor (β) was measured to be ~ 3343. The noteworthy electric field emission response, low turn-on field, and long-term stable field emission enable SmNiO <sub>3</sub> nanopins to be a high-efficiency electron source for field-emitting display (FED), X-ray source, vacuum transistor device, etc. Field electron emission ; Work function ; Orthorhombic crystal system ; Raman spectroscopy ; Electric field ; Density functional theory ; Lattice constant ; X-ray photoelectron spectroscopy ; Scanning tunneling microscope Magnetic and transport properties of perovskites and related materials ; Magnetic Properties of Alloys ; Multiferroics and related materials