jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yuan Fang | Qingcheng Zou | Zhaoyang Wang | Zhanwei Huang | Yingbo Li | Jijie Huang | Yupeng Zheng
Source: Journal of Applied Physics (article, 2025-04-15)
Field: Materials Science — Polymers and Plastics

Tailoring the phase transition of VO2 thin films via cobalt doping and secondary phase incorporation Vanadium dioxide (VO2) is a prominent phase transition material with strongly correlated electron behavior, exhibiting unique physical properties and significant potential for electronic applications. Tuning the phase transition characteristics of VO2 is one of the major directions for such a material. In this study, ferromagnetic transition metal element cobalt (Co) has been introduced into VO2, in the form of direct doping or incorporation as a secondary phase, to fine-tune the critical temperature (TC) of VO2 films, which results in a wide tuning range of 341.94–327.35 K for the former and 342.16–315.09 K for the latter. Comprehensive characterizations, including structural and spectroscopic analyses, were conducted to explore the intricate relationship between the structural modifications and the resulting phase transition behaviors. The insights gained from these investigations provide a deeper understanding of phase transition tuning in VO2 thin films and broaden the material's potential for advanced device integration. Cobalt ; Doping ; Materials science ; Thin film ; Phase transition ; Phase (matter) ; Nanotechnology ; Condensed matter physics ; Optoelectronics ; Chemistry ; Metallurgy ; Physics Transition Metal Oxide Nanomaterials ; Gas Sensing Nanomaterials and Sensors ; Advanced Memory and Neural Computing
Authors: Didem Şen Karaman | Elif Akar | Aytül Saylam | Salih Özçubukçu | Emre Büküşoğlu
Source: ACS Applied Nano Materials (article, 2025-11-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Engineered Fullerene-Based Enzyme Mimics for Enhanced Sensing of Aqueous-Phase Reactions Using Liquid Crystals The responsive interfaces formed by thermotropic liquid crystals (LC) and aqueous phases have been utilized in reactive and catalytic applications, yet their utilization in enzymatic studies has been dominated by natural enzymes. We introduced fullerene-based enzyme mimics and investigated the enzyme mimic-chemistry-dependent response characteristics of LC–aqueous interfaces. We employed hydrophilic and hydrophobic modifications to the fullerene-based enzyme mimics and performed structure and response characterizations of the LC–aqueous interfaces for tracking aqueous-phase catalytic hydrolysis of p-nitrophenyl acetate (pNPA) in solutions in contact with nematic 4-pentyl-4’-cyanobiphenyl (5CB) droplets. Polarized light microscopy revealed temporal 5CB droplet configuration changes upon substrate hydrolysis, while interfacial tension measurements and UV–vis spectrophotometry provided insight into adsorption characteristics, interfacial structuration, and reaction kinetics. Our findings demonstrated two distinct interfacial structuring: the enzyme-immobilized interfaces and the interfaces formed with the adsorption–desorption equilibrium of enzyme mimics. We showed that the tailored modifications of fullerene-based enzyme mimics significantly influenced the LC responsiveness toward enzymatic pNPA hydrolysis. The design flexibility of fullerene-based enzyme mimics allows for fine-tuned control of interfacial properties, significantly improves LC sensitivity, and promises to advance synthetic enzyme designs for use in biochemical sensing, environmental monitoring, and diagnostic technologies. Thermotropic crystal ; Substrate (aquarium) ; Liquid crystal ; Enzyme ; Catalysis ; Surface tension ; Enzyme catalysis ; Hydrolysis Liquid Crystal Research Advancements ; Lipid Membrane Structure and Behavior ; Molecular spectroscopy and chirality
Authors: Mustapha Balarabe Idris | Zaharaddeen Musa Mohammed | Sadiya Nuhu | H.N. Aliyu | Habu Abba | Bhekie B. Mamba | S. Devaraj | Fuku Xolile
Source: ACS Omega (review, 2025-05-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent Advances in Mesoporous Carbon Nitride-Based Materials for Electrochemical Energy Storage and Conversion and Gas Storage Mesoporous carbon nitride (MCN) is a fascinating material with enhanced textural properties, tailored morphology and enriched surface functionalities. Hence, it demonstrates promising performance in various applications. Over the years, various methods such as hard template, soft template, template-free, etc. have been adopted toward the preparation of MCN with controlled structural properties. Furthermore, the exciting properties of MCN have been fine-tuned by controlling the morphology and tuning the textural properties and surface functionalities, including the type and amount of nitrogen, via simple adjustment of the precursors, the carbonization temperature and the nature of the structure-directing agents/hard template. Besides these, the integration of conductive carbon, heteroatoms, metal-based materials, organic molecules, etc. was found to not only enhance MCN's performance in the already existing applications but also open up more exciting applications. The present Review begins by providing a general overview of the salient features of MCN, which dictate its performance in the various applications. Then, the Review discusses the trends in the applications of MCN-based material in the areas of electrochemical energy storage and conversion and gas storage in the past decade. The structure-property relationships of MCN-based materials in the above-mentioned applications are also discussed in detail. Emphasis is given to the role of the synthetic approach adopted and the nature of the precursor(s) used toward controlling the textural, morphological properties and chemical composition of MCN-based materials in obtaining the final product with improved performance. Moreover, the effects of modifications of key features of MCN on its electrochemical performance are also discussed. Finally, the current challenges and perspectives are provided, thereby guiding future research in the field of MCN-based materials for electrochemical energy storage and conversion and gas storage. Energy storage ; Electrochemical energy storage ; Materials science ; Mesoporous material ; Nitride ; Nanotechnology ; Process engineering ; Supercapacitor ; Electrochemistry ; Chemistry ; Electrode ; Engineering ; Physics ; Organic chemistry ; Catalysis Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Advanced Photocatalysis Techniques
Authors: Nils Bäumer | Soichiro Ogi | Shigehiro Yamaguchi
Source: Angewandte Chemie International Edition (article, 2025-02-22)
Field: Materials Science — Biomaterials

Elucidating the Boundary of Intercalation vs Sequestration in Supramolecular Polymers by Retrosynthetic Design Toward the Construction of Complex Supramolecular Systems Controlled social self-sorting by intercalation can offer distinct properties at the supramolecular level that go beyond the sum of its parts. Likewise, controlling narcissistic self-sorting by sequestration can induce unique system properties. In contrast, the interface between the two cases has hitherto remained underexplored, and clear design rules remain elusive. Herein it is demonstrated that by fine-tuning the molecular similarity of supramolecular synthons, intricate control over concerted supramolecular equilibria can be achieved. By reducing the molecular similarity, a former intercalator can be tuned to become a strong or weak sequestrator. Understanding these roles in binary mixtures allows to rationalize more complex tertiary systems. Consequently, the influence of an uncommon dual sequestration mechanism is revealed. Further, an unprecedented hybrid mechanism between supramolecular intercalation and sequestration can be demonstrated. We are hopeful that the results presented herein will contribute to the development and understanding of concerted processes in complex supramolecular systems. Supramolecular chemistry ; Intercalation (chemistry) ; Mechanism (biology) ; Nanotechnology ; Supramolecular polymers ; Sorting ; Chemistry ; Materials science ; Computer science ; Crystallography ; Physics ; Crystal structure Supramolecular Self-Assembly in Materials ; Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials
Authors: Wei‐Ting Chen | Meng‐Jung Tsai | Po‐Min Chuang | Jing‐Yun Wu
Source: Chemistry - A European Journal (article, 2025-01-19)
Field: Chemistry — Inorganic Chemistry

Interpenetration Control in Metal–Organic Polyrotaxanes via Solvent Composition and Ligand Steric‐Modulation: Supramolecular Isomerism and Luminescence Detection toward Fe <sup>3+</sup> Ions Three fluorescent Zn coordaintion polymers (CPs) have been synthesized from the reactions of Zn(NO<sub>3</sub>)<sub>2</sub> ⋅ 6H<sub>2</sub>O, benzene-1,4-dicarboxylic acid (1,4-H<sub>2</sub>bdc), and angular carbazole-derived bispyridyl ligands (Cz-3,6-bpy or Cz-Pr-3,6-bpy). CPs 1-3 all adopt similar two-dimensional (2D) ring-and-rod layer structures, described as topologically 4-connected 2 ⋅ 6<sup>5</sup> nets where the Zn(II) centers act as 4-connected nodes. CPs 1 and 2 are a pair of solvent-mediated supramolecular isomers where the former shows a two-fold interlocked 2D →2D polyrotaxane-like entangled net and the latter reveals a four-fold interpenetrated 2D →3D polyrotaxane entanglement. CP 3 is structure analgue of 1. The formation of 1-3 implies the realization of interpenetration control and supramolecular isomerism in polyrotaxanes by fine-tuning the solvent compositions and ligand steric-modulation. CPs 1-3 all show high thermal stability approaching 400 °C and good chemical stability in various solvents at room temperature for 24 h. Further, CPs 1-3 all are excellent turn-off sensors to recognize Fe<sup>3+</sup> in water with high selectivity and sensitivity, great anti-inference ability, and low limit of detection (LOD). The sensing mechanisms are found to be competitive absorption of excitation wavelength energy and the occurrence of framework-Fe<sup>3+</sup> interactions. Supramolecular chemistry ; Steric effects ; Chemistry ; Ligand (biochemistry) ; Luminescence ; Solvent ; Crystallography ; Metal ions in aqueous solution ; Stereochemistry ; Ion ; Materials science ; Crystal structure ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Molecular Sensors and Ion Detection ; Supramolecular Chemistry and Complexes
Authors: Aqsa Abid | Xiaoying Sun | LingLing Shang | Bo Li
Source: ACS Applied Materials & Interfaces (article, 2025-10-26)
Field: Materials Science — Materials Chemistry

Ligand Field-Engineered Frontier Orbital Alignment in MXenes-Supported Single-Atom Catalysts for Enhanced Propane Dehydrogenation Single-atom catalysts (SACs) offer a transformative strategy for propane dehydrogenation (PDH) by maximizing atom efficiency and enabling precise active-site control. Their performance, however, is intrinsically linked to the electronic properties of the support. This study reveals the essential role of the ligand field in determining the stability and activity of SACs supported on V<sub>3</sub>C<sub>2</sub>O<sub>2</sub> MXene. We demonstrate that the ligand field lifts the degeneracy of metal d-orbitals, and a strong field induces a large splitting energy, which minimizes the HOMO-LUMO gap. This electronic modulation strengthens the SAC binding and enhances catalytic activity, yielding significantly lower C-H activation barriers compared with conventional metal surfaces. The reaction pathway involving the coadsorption of a propyl fragment and a hydrogen atom at the pure metal site (P3) outperforms those on mixed metal-oxygen (P2) or pure oxygen (P1) sites. Catalyst regeneration via hydrogen desorption proceeds most readily through homolytic coupling, is moderately challenging via heterolytic recombination, and is most difficult through dihydrogen formation. Pt-SAC exhibits superior stability and the lowest energy barriers among all systems owing to its pronounced d-orbital splitting and narrow frontier orbital gap. These insights establish V<sub>3</sub>C<sub>2</sub>O<sub>2</sub>-supported SACs as a versatile platform for PDH, in which crystal field-mediated frontier orbital interactions enable the fine-tuned regulation of reactivity from C-H activation to hydrogen desorption. Dehydrogenation ; Catalysis ; Heterolysis ; Ligand (biochemistry) ; Reactivity (psychology) ; Hydrogen ; Propane ; Homolysis ; Diphosphines Catalytic Processes in Materials Science ; MXene and MAX Phase Materials ; Nanomaterials for catalytic reactions
Authors: Tingting Xu | Huaqun Zhou | Xiaofei Zhang | Tun Seng Herng | Jun Ding | Chunyan Chi | Jun Zhu
Source: Angewandte Chemie (article, 2025-01-11)
Field: Materials Science — Materials Chemistry

Covalent Organic Frameworks with Carbon‐Centered Radical Sites for Promoting the 4e<sup>−</sup> Oxygen Reduction Reaction Abstract Radical covalent organic frameworks (RCOFs) have demonstrated significant potential in redox catalysis and energy conversion applications. However, the synthesis of stable RCOFs with well‐defined neutral carbon radical centers is challenging due to the inherent radical instability, limited synthetic methods and characterization difficulties. Building upon the understanding of stable carbon radicals and structural modulations for preparing crystalline COFs, herein we report the synthesis of a crystalline carbon‐centered RCOF through a facile post‐oxidation process. Moreover, the RCOF demonstrated outstanding catalytic activity in the 4e − oxygen reduction reaction (ORR) with a half‐wave potential of 0.82 V (vs. RHE) and electron transfer number of 3.98, among the highest in reported COF‐based electrocatalysts. The promoted 4e − and suppressed 2e − ORR pathway (99.5 % vs. 0.5 %) can be attributed to facilitated reaction initiation and smoother transition steps at the carbon radical sites, which is practically beneficial for minimizing peroxide formation, thus contributing to safer and more sustainable fuel cell and metal‐air battery applications. Overall, our study not only provided a facile strategy for preparing stable RCOFs with well‐defined neutral carbon radical centers but also demonstrated their capability to fine‐tune the redox catalytic activity of COF materials, which could be potentially useful in electrocatalysis and energy conversion applications. Covalent bond ; Chemistry ; Oxygen reduction reaction ; Carbon fibers ; Oxygen ; Reduction (mathematics) ; Photochemistry ; Organic chemistry ; Materials science ; Electrochemistry Covalent Organic Framework Applications ; Fuel Cells and Related Materials ; Electrocatalysts for Energy Conversion
Authors: Wenjie Liu | Huibo Zhao | Xianyue Wu | George Dury | Wenting Hu | Wen Liu
Source: Journal of Energy Chemistry (article, 2025-07-31)
Field: Materials Science — Materials Chemistry

Brønsted acid sites modulation of InPd/In2O3 interfaces for CO2 hydrogenation to methanol Brønsted–Lowry acid–base theory ; Methanol ; Modulation (music) ; Catalysis ; Chemistry ; Materials science ; Chemical engineering ; Nanotechnology ; Organic chemistry ; Physics ; Engineering Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Oxidation Reactions
Authors: Haipeng Xiao | Hongyan Pan | Weiyue Zhao | Chunliang Yang | Zheng Chen | Mingrui Liao | Qian Lin | Song Li
Source: Molecular Catalysis (article, 2025-06-02)
Field: Materials Science — Materials Chemistry

Mussel-inspired dopamine-modified silica microspheres for anchoring PdNi bimetallic nanoclusters: Unlocking superior catalysts for efficient H2O2 synthesis Bimetallic strip ; Nanoclusters ; Catalysis ; Anchoring ; Dopamine ; Microsphere ; Chemistry ; Chemical engineering ; Materials science ; Nanotechnology ; Organic chemistry ; Biology ; Psychology ; Engineering ; Neuroscience Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; Advanced Photocatalysis Techniques
Authors: Min Li | Dandan Han | Zheng Lin | Xiujuan Qi | Honglei Xia | Zhao Wang | Qinghua Zhang | Junbo Gong
Source: Chemical Science (article, 2025-11-10)
Field: Materials Science — Materials Chemistry

Controllable synthesis of perovskite solid solutions as novel energetic materials <i>via</i> thermodynamic equilibrium Perovskite solid solutions have aroused interest in energy applications, owing to the capability of fine-tuning and enhancing performance to surpass ternary perovskites. Their synthesis, however, is hard to control in solution due to the intricate self-assembly process wherein components crystallize in undetermined ratios. Herein, we present a facile approach to the controllable synthesis of perovskite solid solutions in aqueous solution and develop perovskite solid solutions as a novel class of energetic materials for the first time. Specifically, the composition control of perovskite solid solutions is achieved through thermodynamic equilibrium of reaction crystallization in water, exhibiting a linear relationship with the natural logarithm of reactant concentrations. Based on Goldschmidt's rule, we design a general formula of energetic perovskite solid solutions as (H<sub>2</sub>dabco)(NH<sub>4</sub>)<sub>(1-<i>x</i>)</sub>M <sub><i>x</i></sub> (ClO<sub>4</sub>)<sub>3</sub>, in which 0 < <i>x</i> < 1, H<sub>2</sub>dabco<sup>2+</sup> refers to 1,4-diazabicyclo[2.2.2]octane-1,4-diium, and M is a quaternary ion. The as-synthesized (H<sub>2</sub>dabco)(NH<sub>4</sub>)<sub>(1-<i>x</i>)</sub>(Na) <sub><i>x</i></sub> (ClO<sub>4</sub>)<sub>3</sub> exhibits exceptional thermal stability, outperforming its ternary perovskite prototypes, and the prepared (H<sub>2</sub>dabco)(NH<sub>4</sub>)<sub>(1-<i>x</i>)</sub>Ag <sub><i>x</i></sub> (ClO<sub>4</sub>)<sub>3</sub> manifests energy-safety optimization as elevated energy levels with improved mechanical sensitivity. This work not only exploits perovskite solid solutions as a novel class of energetic materials with promising properties but also provides a means for controllably synthesizing perovskite solid solutions for versatile advanced applications. Perovskite (structure) ; Solid solution ; Ternary operation ; Crystallization ; Aqueous solution ; Work (physics) Thermal Expansion and Ionic Conductivity ; Perovskite Materials and Applications ; Energetic Materials and Combustion
Authors: Nils Bäumer | Peiqi Hu | M. Naruse | Soichiro Ogi | Zachary M. Hudson | Shigehiro Yamaguchi
Source: Angewandte Chemie International Edition (article, 2025-06-10)
Field: Materials Science — Materials Chemistry

Tunable Thermally Activated Delayed Fluorescence from Supramolecular Polymers Toward Application in Aqueous Media Thermally activated delayed fluorescence (TADF) offers great potential for application in light emitting devices and bioimaging. Supramolecular polymers can offer intriguing properties for the same applications, such as stimuli responsiveness and self-healing owing to their dynamic intermolecular interactions. However, merging the two has remained a formidable challenge, due to the nonplanar geometry of common TADF chromophores. Herein, we overcome this challenge by utilizing a less distorted multiple resonance TADF (MR-TADF) chromophore connected to a polymerization inducing building block. The obtained supramolecular synthon is capable of assembling in aliphatic solvents due to combined interchromophore interactions and hydrogen bonding. Within the supramolecular ensemble the long-lived photoluminescence properties of the chromophore are maintained. Further modification of the photoluminescence properties could be achieved by using different supramolecular modulators in a social self-sorting approach, allowing fine-tuning of the photoluminescence lifetime and bandwidth. Notably, the extent of intermolecular interactions can switch these assemblies from kinetically to thermodynamically controlled regimes. Finally, we employ this co-assembly strategy to move from organic to aqueous media highlighting the potential toward biological applications. Fluorescence ; Supramolecular chemistry ; Aqueous medium ; Polymer ; Aqueous solution ; Materials science ; Photochemistry ; Chemical engineering ; Nanotechnology ; Chemistry ; Organic chemistry ; Optics ; Composite material ; Molecule ; Physics ; Engineering Luminescence and Fluorescent Materials ; Silicone and Siloxane Chemistry ; Mesoporous Materials and Catalysis
Authors: Jianhang Wang | Baokun Zhang | Kanglei Pang | Kepeng Song | Zhe Wang | Yaxing Zhao | Jiayin Yuan | Hong Liu | Xiaowen Yu
Source: Applied Catalysis B: Environmental (article, 2025-10-26)
Field: Materials Science — Materials Chemistry

Enhanced glycerol valorization via descriptor-guided dual-site engineering in Ni-doped MnO2 Electrocatalytic glycerol oxidation reaction (GOR) presents a sustainable pathway for value-added chemical production but is hindered by unbalanced adsorption kinetics of reactants and a lack of rational catalyst design principles. This study introduces a descriptor-guided dual-site engineering strategy using transition metal (TM) doped α-MnO 2 (Mn, Fe, Co, Ni, Cu, or Zn) as model catalysts. Theoretical analysis identifies two critical electronic descriptors: the TM d -band center, influencing hydroxide (OH − ) adsorption; and the Mn d z 2 orbital center, affecting interactions with C/O intermediates. Among the series, Ni doping fine-tunes electronic coupling within the corner-oxygen-bridged TM–O–Mn moiety, synchronizing the adsorption kinetics of OH − and glycerol. Therefore, Ni-MnO 2 exhibits the highest GOR activity, achieving 50 mA F −1 at merely 1.35 V versus RHE, high formate productivity, and exceptional long-term stability (>88 hours). These insights establish key electronic parameters for catalyst optimization, offering strategic guidance to enhance catalytic activities in complex reactions. • A novel electronic descriptor framework is developed, establishing the d -band center of doped transition metals and the d z 2 orbital center of Mn as robust and predictive indicators of experimentally observed catalytic activity. • A new mechanistic concept—dual-site engineering induced kinetics synchronization—is introduced to elucidate the significantly enhanced performance of Ni-MnO 2 in glycerol oxidation reaction (GOR). • The optimized Ni-MnO 2 electrocatalyst demonstrates ultra-low onset potential, high formate productivity, and remarkable long-term operational stability for GOR. Catalysis ; Formate ; Electrocatalyst ; Adsorption ; Kinetics ; Electronic effect ; Transition metal ; Hydroxide ; Chemical reaction engineering Mesoporous Materials and Catalysis ; Catalytic Processes in Materials Science ; Supercapacitor Materials and Fabrication
Authors: Jinyue Song | Jiaqi Lei | Hongguang Fan | Yanpeng Wang | Yusheng Luo | Yongcheng Jin | Shuang Liu | Wei Liu
Source: Composites Part B Engineering (article, 2025-04-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Enhancing aqueous battery energy storage through electrochemically-driven reconstruction of electrode materials utilizing metal-oxygen clusters Materials science ; Energy storage ; Battery (electricity) ; Electrode ; Aqueous solution ; Metal ; Oxygen ; Composite material ; Oxygen evolution ; Chemical engineering ; Electrochemical energy storage ; Nanotechnology ; Electrochemistry ; Metallurgy ; Supercapacitor ; Organic chemistry Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Advancements in Battery Materials