jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Kun Zhang | Lei Wu | Yanting Zhang | Hong Zhang | Dongshuang Wu
Source: ACS Applied Materials & Interfaces (article, 2024-12-23)
Field: Materials Science — Materials Chemistry

Tuning the Crowding Effect of Water and Imidazole in Covalent Organic Frameworks for Proton Conduction The proton conduction of imidazole under confined conditions has attracted widespread attention from researchers. Under anhydrous conditions, the proton transfer behavior is primarily governed by the molecular dynamics of imidazole. However, within a water-mediated system, the crowding effect of water and imidazole in a confined space may outweigh the intrinsic properties of imidazole itself. In this study, we have meticulously adjusted the structural fragments within the covalent organic frameworks (COFs), fine-tuning the saturation level of imidazole loading and adjusting the crowding degree of imidazole and water molecules. As a result, the two COF composites exhibit distinctly different proton conduction mechanisms from 32 to 100% relative humidity (RH), of which one possesses proton conduction progressively shifting from the Grotthuss mechanism to the vehicle mechanism, while the other has proton conduction undergoing a transition from the vehicle mechanism at 32% RH through the Grotthuss mechanism at 75% RH and finally back to the vehicle mechanism at 100% RH. These results highlight the critical role of the crowding effect of water and imidazole within confined spaces in proton conduction. Imidazole ; Chemical physics ; Materials science ; Proton ; Thermal conduction ; Anhydrous ; Covalent bond ; Proton transport ; Nanotechnology ; Chemistry ; Organic chemistry ; Composite material ; Physics Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Fuel Cells and Related Materials
Authors: Rima Cherroun | Afak Meftah | Nouredine Sengouga | Madani Labed | Hojoong Kim | You Seung Rim | A. Djemaa | Amjad Meftah
Source: Journal of Materials Science Materials in Electronics (article, 2024-06-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Improvement of β-Ga2O3-based Schottky barrier UV photodetector by 4H-SiC substrate, intrinsic buffer layer, and graphene surface contact Buffer (optical fiber) ; Graphene ; Materials science ; Optoelectronics ; Photodetector ; Layer (electronics) ; Schottky barrier ; Substrate (aquarium) ; Nanotechnology ; Computer science ; Telecommunications Ga2O3 and related materials ; ZnO doping and properties ; Advanced Photocatalysis Techniques
Authors: Chongchong Tang | Michael Dürrschnabel | U. Jäntsch | M. Klimenkov | M. Steinbrück | S. Ulrich | Marcus Hans | Jochen M. Schneider | Michael Stüber
Source: Journal of the European Ceramic Society (article, 2024-07-16)
Field: Materials Science — Materials Chemistry

Phase formation, structure and properties of quaternary MAX phase thin films in the Cr-V-C-Al system: A combinatorial study Tailoring of individual atomic layers via alloying to synthesize quaternary MAX phases allows for expanding their chemical diversity and fine-tuning of their properties. In this study, Cr-V/C/Al multilayered precursors were deposited via combinatorial magnetron sputtering, creating nanostructured architectures with periodic stacking of nanolayers and varying Cr:V ratios. Their phase transformation and underlying reaction mechanisms during subsequent thermal annealing in argon towards the prospective quaternary solid solution (CrV)n+1AlCn MAX phases formation was systematically studied. Crystallization of (CrV)2AlC starts at approximately 500°C, while growth of higher-ordered (CrV)4AlC3 is observed from 960°C. Notably, intergrowth of (CrV)2AlC and (CrV)4AlC3 structures with coherent interface suggests that (CrV)2AlC acts as template for nucleation of (CrV)4AlC3. Thermal stability and high-temperature oxidation tests found that (CrV)2AlC exhibits higher thermal stability compared to (CrV)4AlC3 and films with Cr72.7V27.3 displayed good oxidation resistance at 1000°C, forming a protective bilayer oxide scale consisting of (Cr,Al)2O3 and Al2O3. Materials science ; Thermal stability ; MAX phases ; Nucleation ; Phase (matter) ; Sputter deposition ; Annealing (glass) ; Crystallization ; Oxide ; Thin film ; Sputtering ; Chemical engineering ; Crystallography ; Carbide ; Composite material ; Metallurgy ; Nanotechnology ; Thermodynamics MXene and MAX Phase Materials ; Aluminum Alloys Composites Properties ; Advanced materials and composites
Authors: Bhupendra Kumar Dwivedi | Prasanta Bhowmik | Sunil Pandey | Daya Shankar Pandey
Source: Dyes and Pigments (article, 2024-01-27)
Field: Materials Science — Materials Chemistry

Red-emissive quinoxaline-based BODIHY: Aggregation-induced emission and multi-responsive properties Aggregation-induced emission ; Quinoxaline ; Benzothiazole ; Intermolecular force ; Solid-state ; Quantum yield ; Photochemistry ; Crystallization ; Chemistry ; Materials science ; Molecule ; Physical chemistry ; Fluorescence ; Organic chemistry ; Optics Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Molecular Sensors and Ion Detection
Authors: Natália P. Neme | Thomas L. C. Jansen | Remco W. A. Havenith
Source: Physical Chemistry Chemical Physics (article, 2024-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Cyclopentene ring effects in cyanine dyes: a handle to fine-tune photophysical properties The aim of this study is to investigate the photophysical properties of a cyanine dye analogue by performing first-principles calculations based on density functional theory (DFT) and time dependent-DFT. Cationic cyanine dyes are the subject of great importance due to their versatile applications and the tunability of their photophysical properties, such as by modifying their end groups and chain length. An example of this is the vinylene shift, which is experimentally known for these molecules, and it consists of a bathochromic (red) shift of approximately 100 nm of the 0-0 vibronic transition when a vinyl group is added to the polymethine chain. Our study shows that when the saturated moiety C<sub>2</sub>H<sub>4</sub> of the cyclopentene ring is added to the chain, it interacts with the conjugated π-system, resulting in a smaller HOMO-LUMO gap. Here, we demonstrate the origin of this interaction and how it can be used to fine tune the absorption energies of this class of dyes. Cyanine ; Cyclopentene ; Density functional theory ; Ring (chemistry) ; Photochemistry ; Chemistry ; Time-dependent density functional theory ; Computational chemistry ; Fluorescence ; Organic chemistry ; Physics ; Optics ; Catalysis Photochemistry and Electron Transfer Studies ; Photochromic and Fluorescence Chemistry ; Quantum Dots Synthesis And Properties
Authors: Ling Chen | Yukai Zhang | Yunling Kun | Kun Tuo | Jifang Shang | Wenjing Du | Hui Qi | Shaohui Liu
Source: Journal of Materials Science Materials in Electronics (article, 2024-04-01)
Field: Materials Science — Materials Chemistry

The Zn1−xMgxO electron transport layer for charge balance in high-brightness inverted quantum-dot light-emitting diodes Quantum dot ; Optoelectronics ; Dopant ; Doping ; Materials science ; Diode ; Band gap ; Nanotechnology ; Quantum efficiency ; Nanoparticle ; Layer (electronics) ; Light-emitting diode Quantum Dots Synthesis And Properties ; ZnO doping and properties ; Copper-based nanomaterials and applications
Authors: Maria Maqbool | Annum Ahsan | Faizan Ullah | Ahmed Lakhani | Nadeem S. Sheikh | Tariq Mahmood | Mazhar Amjad Gilani | Khurshid Ayub
Source: Diamond and Related Materials (article, 2024-10-22)
Field: Chemistry — Organic Chemistry

Finely tuned energy gaps in host-guest complexes: Insights from belt[14]pyridine and fullerene-based nano-Saturn systems Fullerene ; Saturn ; Pyridine ; Nano- ; Host (biology) ; Astrobiology ; Nanotechnology ; Chemistry ; Materials science ; Chemical engineering ; Physics ; Organic chemistry ; Planet ; Engineering ; Astronomy ; Biology Fullerene Chemistry and Applications ; Advanced Chemical Physics Studies ; Boron and Carbon Nanomaterials Research
Authors: Ting Xiao | Can Tang | Hongxiang Lin | Xiuru Li | Yuting Mei | Can Xu | Lin Gao | Lihua Jiang | Peng Xiang | Shibing Ni | Yequan Xiao | Xinyu Tan
Source: Inorganic Chemistry (article, 2024-09-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Investigating the NH<sub>4</sub><sup>+</sup> Preintercalation and Surface Coordination Effects on MnO<sub>2</sub> for Ammonium-Ion Supercapacitors Ion preintercalation is an effective method for fine-tuning the electrochemical characteristics of electrode materials, thereby enhancing the performance of aqueous ammonium-ion hybrid supercapacitors (A-HSCs). However, much of the current research on ion preintercalation lacks controllability, and the underlying mechanisms remain unclear. In this study, we employ a two-step electrochemical activation approach, involving galvanostatic charge-discharge and cyclic voltammetry, to modulate the preintercalation of NH<sub>4</sub><sup>+</sup> in MnO<sub>2</sub>. An in-depth analysis of the electrochemical activation mechanism is presented. This two-step electrochemical activation approach endows the final MnO<sub>2</sub>/AC electrode with a high capacitance of 917.4 F g<sup>-1</sup>, approximately 2.4 times higher than that of original MnO<sub>2</sub>. Furthermore, the MnO<sub>2</sub>/AC electrode retains approximately 93.4% of its capacitance after 10 000 cycles at a current density of 25 mA cm<sup>-2</sup>. Additionally, aqueous A-HSC, comprising MnO<sub>2</sub>/AC and P-MoO<sub>3</sub>, achieves a maximum energy density of 87.6 Wh kg<sup>-1</sup>. This study offers novel insights into the controllable ion preintercalation approach via electrochemical activation. Chemistry ; Supercapacitor ; Electrochemistry ; Cyclic voltammetry ; Ion ; Ammonium ; Electrode ; Inorganic chemistry ; Aqueous solution ; Controllability ; Physical chemistry ; Organic chemistry Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Membrane-based Ion Separation Techniques
Authors: Jingzeng Cui | Yuxuan Zhang | Ze Liu | Zhiwei Hu | Hanping Wang | Po‐Yu Cho | Chang‐Yang Kuo | Yi‐Ying Chin | Chien‐Te Chen | Jianqiu Zhu | Jing Zhou | Guntae Kim | Jian‐Qiang Wang | Linjuan Zhang
Source: Small Structures (article, 2024-03-04)
Field: Materials Science — Materials Chemistry

Key Roles of Initial Calcination Temperature in Accelerating the Performance in Proton Ceramic Fuel Cells via Regulating 3D Microstructure and Electronic Structure Developing cathode materials with high performance in oxygen reduction reaction (ORR) is desirable for proton ceramic fuel cells (PCFCs) for energy conversion technology. BaCo 0.4 Fe 0.4 Zr 0.1 Y 0.1 O 3–δ (BCFZY) is widely investigated as a cathode. Herein, BCFZY cathode is used as a paradigmatic example to study the impact of calcination temperature on microstructure, electronic structure, and ORR performance. Ion beam‐scanning electron microscopy indicates BCFZY prepared at 800 °C (BCFZY800) exhibits the largest specific surface area and cathode/electrolyte contact area. BCFZY800 exhibits a peak power density of 1.32 W cm −2 at 650 °C, which is 37% and 193% higher than that of BCFZY prepared at 700 °C (BCFZY700) and 1100 °C (BCFZY1100), respectively. Furthermore, BCFZY800 demonstrates high long‐term stability over 500 h. Soft X‐Ray absorption spectra indicate that the oxidation state of BCFZY800 is reduced, suggesting more catalytically active sites than those of BCFZY700 and BCFZY1100 after the ORR. This work provides a new understanding for enhanced PCFCs performance by proper porosity structure via fine‐tuning the calcination temperature. Calcination ; Microstructure ; Cathode ; Materials science ; Electrolyte ; Chemical engineering ; Ceramic ; Scanning electron microscope ; Nanotechnology ; Composite material ; Catalysis ; Chemistry ; Electrode ; Physical chemistry ; Organic chemistry Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Electrocatalysts for Energy Conversion
Authors: Lara Santolin | Rosalie Sandra Josianne Eichenroth | Paul Cornehl | H. Wortmann | Christian Forbrig | Anne Schulze | Inam Ul Haq | Sabine Brantl | Juri Rappsilber | Sebastian Lothar Riedel | Peter Neubauer | Matthias Gimpel
Source: Journal of Biological Chemistry (article, 2024-07-04)
Field: Materials Science — Biomaterials

Elucidating regulation of polyhydroxyalkanoate metabolism in Ralstonia eutropha: Identification of transcriptional regulators from phasin and depolymerase genes Despite the ever-growing research interest in polyhydroxyalkanoates (PHAs) as green plastic alternatives, our understanding of the regulatory mechanisms governing PHA synthesis, storage, and degradation in the model organism Ralstonia eutropha remains limited. Given its importance for central carbon metabolism, PHA homeostasis is probably controlled by a complex network of transcriptional regulators. Understanding this fine-tuning is the key for developing improved PHA production strains thereby boosting the application of PHAs. We conducted promoter pull-down assays with crude protein extracts from R. eutropha Re2058/pCB113, followed by liquid chromatography with tandem mass spectrometry, to identify putative transcriptional regulators involved in the expression control of PHA metabolism, specifically targeting phasin phaP1 and depolymerase phaZ3 and phaZ5 genes. The impact on promoter activity was studied in vivo using β-galactosidase assays and the most promising candidates were heterologously produced in Escherichia coli, and their interaction with the promoters investigated in vitro by electrophoretic mobility shift assays. We could show that R. eutropha DNA-binding xenobiotic response element-family-like protein H16_B1672, specifically binds the phaP1 promoter in vitro with a K<sub>D</sub> of 175 nM and represses gene expression from this promoter in vivo. Protein H16_B1672 also showed interaction with both depolymerase promoters in vivo and in vitro suggesting a broader role in the regulation of PHA metabolism. Furthermore, in vivo assays revealed that the H-NS-like DNA-binding protein H16_B0227 and the peptidyl-prolyl cis-trans isomerase PpiB, strongly repress gene expression from PphaP1 and PphaZ3, respectively. In summary, this study provides new insights into the regulation of PHA metabolism in R. eutropha, uncovering specific interactions of novel transcriptional regulators. Ralstonia ; Polyhydroxyalkanoates ; Cupriavidus necator ; Escherichia coli ; Promoter ; Transcriptional regulation ; Biochemistry ; Biology ; Gene ; Overproduction ; Chemistry ; Gene expression ; Bacteria ; Genetics biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Electrospun Nanofibers in Biomedical Applications
Authors: Ben Johns | Kuljeet Kaur | Jino George
Source: ACS Applied Optical Materials (article, 2024-03-18)
Field: Materials Science — Materials Chemistry

Tailoring the Photoluminescence of Monolayer WS<sub>2</sub> under Weak and Strong Coupling Regimes 2D materials such as transition metal dichalcogenides (TMDs) display sharp exciton resonances in the visible range at room temperature. The high oscillator strengths and relatively high quantum yields make TMDs attractive as quantum emitters and also as a test bed for gaining insight into fundamental light–matter interactions. Engineering the electromagnetic environment is known to be key in controlling the line shape and emissivity of a quantum emitter from weak to strong coupling regimes. We comparatively study the emission properties of monolayer tungsten disulfide (WS2) in weakly coupled open cavities and strongly coupled Fabry–Perot cavities, using angle-resolved reflectance and photoluminescence microspectroscopy. The experimental results are further correlated to transfer matrix simulations. We show that under weak coupling the monolayer emissivity can be efficiently controlled in the momentum space by tuning the cavity resonance. Moreover, the spectral features do not show any splitting, as expected under weak coupling. However, the calculated electric field distributions reveal a spectral doublet when the exciton and cavity modes are degenerate. In contrast, under strong coupling, we clearly observe spectral variations in the monolayer emission due to the formation of polaritonic branches. By controlling the relative emissivity and energies of the coupled and uncoupled states, we demonstrate that the monolayer emission can be fine-tuned and redistributed through the lower polaritonic state. Our experimental findings provide valuable insight into the application of light–matter coupling using monolayer TMDs in nanophotonic and quantum systems. Photoluminescence ; Monolayer ; Coupling (piping) ; Materials science ; Chemical physics ; Condensed matter physics ; Physics ; Nanotechnology ; Optoelectronics ; Composite material 2D Materials and Applications ; Perovskite Materials and Applications ; Energy Harvesting in Wireless Networks
Authors: Sahar Rezaee | Alireza Grayeli Korpi | Maryam Karimi | Stanislav Jurečka | Ali Arman | Carlos Luna | Ştefan Ţălu
Source: Microscopy Research and Technique (article, 2024-02-21)
Field: Materials Science — Polymers and Plastics

Influence of film thickness on structural, optical, and electrical properties of sputtered nickel oxide thin films Utilizing radio frequency magnetron sputtering, we successfully fabricated nickel oxide thin films with different thickness (from 80 to 270 nm), and conducted an in-depth examination of their structural, morphological, optical, and electrical properties. The crystal structure and surface roughness were determined using x-ray diffraction (XRD) and atomic force microscopy (AFM), respectively. The XRD analyses showed that the films were composed of cubic nickel oxide, exhibiting a notable orientation along the (200) direction. This crystal texture partially increased when the film thickness reached 270 nm. In addition, a direct correlation between film thickness and crystallite size was observed, with the latter increasing as the former did. AFM analysis provided insights into the surface morphology, revealing metrics like the bearing area, 3D surfaces intersections, and statistical properties of surface height. These insights underscore the relationship between film thickness and surface properties, which in turn influence the overall electrical, and prominently, optical properties of the films. Employing transmittance UV-visible spectroscopy, we characterized the optical behavior of these films, noting a proportional increase in refractive index with film thickness. Additionally, resistivity was observed to increase concomitantly with film thickness. In conclusion, the deposition process's film thickness acts as a pivotal parameter for fine-tuning the structural, morphological, and optical properties of nickel oxide thin films. This knowledge paves the way for optimizing nickel oxide-based devices across various applications. RESEARCH HIGHLIGHTS: We synthesized and characterized of p-type semiconducting NiO thin films sputtered on substrates by using RF magnetron sputtering with different thickness. Advanced crystalline structures and fractal features extracted from XRD and AFM analysis. The 2D and 3D surface analysis of the samples indicates a complex structure with an imperfect self-similarity that suggests a multifractal structure. We represented graphically the relative representation of higher geometric objects in the AFM image. We attributed the optical and electrical properties of the samples to the crystallite size, and the concurrent reduction in oxygen vacancies and crystalline defects within the films. Materials science ; Nickel ; Thin film ; Nickel oxide ; Oxide ; Optoelectronics ; Composite material ; Optics ; Metallurgy ; Nanotechnology Transition Metal Oxide Nanomaterials ; Gas Sensing Nanomaterials and Sensors ; ZnO doping and properties
Authors: Sy‐Hann Chen | Jingzhe Fang | Cheng-Han Du | Min‐Hsiung Shih | Hsing-Chih Liang | Hai‐Pang Chiang
Source: Optical Materials (article, 2024-03-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Enhanced photoluminescence of DCJTB by silver nanohole arrays with ring-shaped silver nanoparticles over hyperbolic metamaterials Photoluminescence ; Metamaterial ; Silver nanoparticle ; Materials science ; Nanoparticle ; Ring (chemistry) ; Nanotechnology ; Optoelectronics ; Optics ; Chemistry ; Physics Metamaterials and Metasurfaces Applications ; Antenna Design and Analysis ; Advanced Antenna and Metasurface Technologies
Authors: Micaela Pozzati | Felix Boll | Matteo Crisci | Sara Domenici | Francesco Scotognella | Bernd Smarsly | Teresa Gatti | Mengjiao Wang
Source: Colloids and Interfaces (article, 2024-04-30)
Field: Materials Science — Materials Chemistry

Water-Based Bi2S3 Nano-Inks Obtained with Surfactant-Assisted Liquid Phase Exfoliation and Their Direct Processing into Thin Films Bi2S3 has gained considerable attention as a semiconductor for its versatile functional properties, finding application across various fields, and liquid phase exfoliation (LPE) serves as a straightforward method to produce it in nano-form. Till now, the commonly used solvent for LPE has been N-Methyl-2-pyrrolidone, which is expensive, toxic and has a high boiling point. These limitations drive the search for more sustainable alternatives, with water being a promising option. Nonetheless, surfactants are necessary for LPE in water due to the hydrophobic nature of Bi2S3, and organic molecules with amphoteric characteristics are identified as suitable surfactants. However, systematic studies on the use of ionic surfactants in the LPE of Bi2S3 have remained scarce until now. In this work, we used sodium dodecyl sulfate (SDS), sodium dodecylbenzene sulfonate (SDBS) and sodium hexadecyl sulfonate (SHS) as representative species and we present a comprehensive investigation into their effects on the LPE of Bi2S3. Through characterizations of the resulting products, we find that all surfactants effectively exfoliate Bi2S3 into few-layer species. Notably, SDBS demonstrates superior stabilization of the 2D layers compared to the other surfactants, while SHS becomes the most promising surfactant for obtaining products with high yield. Moreover, the resulting nano-inks are used for fabricating films using spray-coating, reaching a fine tuning of band gap by controlling the number of cycles, and paving the way for the utilization of 2D Bi2S3 in optoelectronic devices. Dodecylbenzene ; Pulmonary surfactant ; Exfoliation joint ; Materials science ; Sulfonate ; Chemical engineering ; Nano- ; Sodium dodecyl sulfate ; Phase (matter) ; Coating ; Nanotechnology ; Sodium ; Organic chemistry ; Chemistry ; Composite material ; Graphene ; Metallurgy 2D Materials and Applications ; Crustacean biology and ecology ; Molecular Junctions and Nanostructures
Authors: Zhenhong Bao | Xiaorong Wang | Wei Luo | Silu Wang | Lifeng Miao
Source: Ceramics International (article, 2024-12-09)
Field: Materials Science — Ceramics and Composites

A novel transparent glass-ceramic with the crystallization of Mg0.6Al1.2Si1.8O6 from MgO-Al2O3-SiO2 system without adding nucleating agents Materials science ; Crystallization ; Ceramic ; Nucleation ; Chemical engineering ; Composite material ; Mineralogy ; Thermodynamics Glass properties and applications ; Recycling and utilization of industrial and municipal waste in materials production ; Advanced ceramic materials synthesis
Authors: Pengcheng Xia | Huafeng Shao | Aihua He
Source: Chinese Journal of Polymer Science (article, 2024-11-14)
Field: Materials Science — Polymers and Plastics

Effect of Cross-Linking Density of Powdered Rubber on Gas Barrier Property and CO2 Permselectivity of NR/BR Composites Composite material ; Natural rubber ; Materials science ; Property (philosophy) Polymer Nanocomposites and Properties ; Fiber-reinforced polymer composites ; Natural Fiber Reinforced Composites