jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: C. H. Yu | Qianqian Du | Yuyu Liu | Yunlong Liu | Wenjun Wang | Shuchao Qin
Source: Materials (article, 2026-03-09)
Field: Materials Science — Materials Chemistry

Flexible Photodetector with Ultrahigh on/off Current Ratio Based on Monocrystal PbI2 Nanosheet via Micro-Spacing In-Air Sublimation Two-dimensional (2D) materials are competitive in a diverse range of areas, spanning from electronic and optoelectronic devices to wearable devices, due to their unique physical and chemical characteristics, as well as remarkable flexibility. As a typical 2D material, lead iodide (PbI<sub>2</sub>), featuring a high atomic number and tunable band gap, has been extensively studied in many applications of electroluminescent (EL) devices, photodetectors, and perovskite solar cells. However, high-performance PbI<sub>2</sub>-based photodetectors remain a challenge. Herein, we present a high-performance flexible photodetector based on 2D layered PbI<sub>2</sub> nanoplates, which were synthesized via a straightforward air sublimation method. The PbI<sub>2</sub>-based photodetector exhibits an excellent photoresponse and the highest responsivity peaks at 34 A/W at 405 nm, together with an ultrahigh transient switching on/off current ratio of 10<sup>7</sup>. Due to a low dark current (10<sup>-14</sup> A), the device exhibits an extremely low noise level (<10<sup>-26</sup> A<sup>2</sup>Hz<sup>-1</sup>) and acceptable detectivity (2 × 10<sup>10</sup> Jones). Furthermore, remarkable mechanical flexibility was observed in the device on a PET substrate, preserving both its electrical conductance and photoresponse stability after 560 bending cycles. Finally, high-resolution imaging applications were implemented under a 100 Hz modulated light signal. This work highlights the superior optoelectrical properties of 2D PbI<sub>2</sub> growth by the in-air sublimation method and proves its promising future in flexible and wearable optoelectronic devices. Photodetector ; Nanosheet ; Dark current ; Responsivity ; Sublimation (psychology) ; Electroluminescence ; Photoconductivity ; Electron mobility 2D Materials and Applications ; Perovskite Materials and Applications ; Advanced Semiconductor Detectors and Materials
Authors: Weiwei Zhao | Xue Wang | Shuai Zhang | Shuangyi He | Jujie Luo
Source: Research Square (preprint, 2026-03-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Microwave synthesis of FeNiSb medium-entropy alloy as a high-performance electrode for symmetric supercapacitors Supercapacitor ; Capacitance ; Electrode ; Alloy ; Electrochemistry ; Energy storage ; Specific energy ; Microwave Supercapacitor Materials and Fabrication ; Nanoporous metals and alloys ; Electrocatalysts for Energy Conversion
Authors: José Campos‐Martínez | Marta I. Hernández
Source: Applied Surface Science (article, 2026-02-27)
Field: Materials Science — Materials Chemistry

Enhanced quantum transport in bilayer two-dimensional materials Two-dimensional (2D) materials have been proposed, among many other applications, as an efficient tool for the separation of atomic and molecular species and their corresponding isotopes, given the confinement provided by their subnanometric dimensions. In this work we present three dimensional quantum wave packet calculations revealing an enhancement in the quantum transport in bilayer over monolayer graphdiyne membranes, one of the most popular 2D materials which is commonly employed for this purpose. Besides, resonances emerge superimposed over the typical monolayer profile for transmission probabilities, a feature that is general to other bilayer nanoporous 2D heterostructures and that shows a strong dependence on the interlayer separation. • Exact quantum there-dimensional calculation transmission probabilities. • Application to bilayer graphdiyne heterostructures. • New features in probability transmission, enhancing quantum sieving • Possibilities for new application to other systems and processes. Bilayer ; Monolayer ; Quantum ; Heterojunction ; Nanoporous ; Quantum dot Graphene research and applications ; Nanopore and Nanochannel Transport Studies ; 2D Materials and Applications
Authors: Yordanka Mollova-Sapundzhieva | Francisco Javier Domínguez Alonso | Plamen Angelov | Paraskev Nedialkov
Source: ChemRxiv (article, 2026-03-26)
Field: Chemistry — Organic Chemistry

Synthesis of 4-Quinolone N-Oxides via Controlled Partial Hydrogenation of 2-Nitrobenzoyl Enamines An operationally simple procedure for the synthesis of 2-alkyl-4-quinolone N-oxides, relying on controlled platinum-catalyzed partial hydrogenation of 2-nitrobenzoyl enamines, has been demonstrated. The P. aeruginosa metabolite 2-heptyl-4-quinolone-N-oxide (HQNO) and four analogous products have been prepared in good yield and high purity by this method. Yield (engineering) ; Metabolite ; Partial oxidation ; Catalysis ; Catalytic hydrogenation Nanomaterials for catalytic reactions ; Chemical Reaction Mechanisms ; Synthesis of heterocyclic compounds
Authors: David Dunlop | Rebecca Strada | Peter Šebej
Source: Advanced Optical Materials (article, 2026-02-11)
Field: Chemistry — Spectroscopy

Substituent Effects on Cyanine Dyes Vary with Position and Chain Length Abstract Cyanines boast high and tunable absorption and emission. Both properties facilitate their application as fluorescent dyes in bioimaging, diagnostics, and materials science through terminal group modification and chain extension. In addition, recent studies have implied contrasting substituent effects across cyanine lengths, revealing untapped potential for their rational design. However, leveraging substituent effects on the polymethine backbone of cyanines requires reconciling these findings in a systematic framework for predicting functional outcomes; otherwise, this approach may be dismissed as an encumbrance. This perspective proposes a comprehensive framework that classifies cyanines into two classes, namely (4 n+ 1)‐ and (4 n –1)‐polymethines. In these two classes with unevenly distributed frontier molecular orbitals, the model predicts opposing spectral shifts and reactivity patterns in response to substitution. These results should encourage researchers to exploit substituent effects in the rational design of cyanine‐based dyes and functional materials with novel photochemical applications. Cyanine ; Substituent ; Rational design ; Reactivity (psychology) ; Context (archaeology) ; Absorption (acoustics) ; Absorption spectroscopy Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics
Authors: Oleksandr Dobrozhan | Sajida Kousar | Maarit Karppinen | Girish C. Tewari
Source: Dalton Transactions (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Thermoelectric Metal Chalcogenides: Platform for Anion Mixing Studies Metal chalcogenides represent the state-of-the-art regarding the thermoelectric (TE) materials, both in the practical TE energy conversion devices and in the new TE material research. To further push the performance... Thermoelectric effect ; Mixing (physics) ; Ion ; Thermoelectric materials ; Metal ; Energy transformation ; Thermoelectric generator Advanced Thermoelectric Materials and Devices ; Phase-change materials and chalcogenides ; Perovskite Materials and Applications
Authors: Franziska Walterspiel | Begoña Ugarte-Uribe | Stefan Terjung | Alex Cabrera | Arif ul Maula Khan | Claire Deo
Source: RSC Chemical Biology (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Photoclickable Halotag ligands for spatiotemporal multiplexed protein labeling on living cells Precise spatiotemporal control over fluorescence labeling is a powerful approach for selective marking and tracking of proteins of interest within living systems. Here, we report a photoclickable labeling platform based on the 2,3-diaryl-indanone epoxide (DIO) photoswitch scaffold and the self-labeling protein HaloTag. Upon illumination, the protein-bound DIO undergoes reversible photoisomerization to form a metastable oxidopyrylium ylide (PY) that reacts with ring-strained dipolarophiles <i>via</i> [5 + 2] cycloaddition, enabling covalent spatiotemporal labeling. We synthesize and characterize a library of DIO-HaloTag and DIO-SNAP-tag ligands, systematically examining the effects of linker architecture and scaffold substitution on the photoswitching and photoclick reactivity <i>in vitro</i> and on living cells. We identify a naphthyl-substituted DIO ligand exhibiting superior photoswitching and photoclick efficiency, allowing fast, selective labeling of HaloTagged proteins on the surface of living cells using visible light activation (405 nm). Using this system, we achieve two- and three-color labeling of defined cell surface regions with excellent spatial and temporal precision, additionally allowing combinatorial labeling. Together, this work establishes a versatile framework for multiplexed, light-directed protein labeling compatible with living systems, with promising future applications including multiplexed long-term tracking and cellular barcoding. Fluorescent labelling ; Fluorescence ; Fluorescent protein ; Protein–protein interaction ; HEK 293 cells ; Fluorescence microscope Click Chemistry and Applications ; Biotin and Related Studies ; Molecular Sensors and Ion Detection
Authors: Jungsoo Lee | Seong Eun Yang | Seungjun Choo | Haiyang Li | Hyunjin Han | Keonkuk Kim | Yae Eun Park | Ho Hyeong Lee | Dong-Woo Suh | Hayoung Chung | Jae Sung Son
Source: Nature Communications (article, 2026-02-19)
Field: Materials Science — Materials Chemistry

Topology optimization of thermoelectric generator for maximum power efficiency Thermoelectric generators offer a promising approach for harvesting waste heat from both natural and human-made sources, enabling sustainable electricity generation. While geometric design plays a crucial role in optimizing device performance, conventional approaches remain confined to simple configurations, limiting efficiency improvements. This constraint arises from the complex interplay of multiphysical interactions and diverse thermal environments, which complicates structural optimization. Here, we introduce a universal design framework that integrates topology optimization (TO) with additive manufacturing to systematically derive high-efficiency thermoelectric 3D architectures. By formulating an optimization problem to maximize power generation efficiency, our approach explores an unprecedentedly large design space, optimizing the geometries of thermoelectric materials across diverse thermal boundary conditions and material properties. The resulting TO-derived geometries consistently outperform conventional cuboids, demonstrating significant efficiency gains. Beyond in-silico studies, we provide theoretical insights and experimental validation, confirming the feasibility of our design approach. Our study offers a transformative way for enhancing thermoelectric power generation, with broad implications for next-generation sustainable energy technologies. Thermoelectric generator ; Topology optimization ; Thermoelectric effect ; Electricity generation ; Topology (electrical circuits) ; Thermoelectric materials ; Electricity ; Constraint (computer-aided design) ; Power (physics) ; Efficient energy use Advanced Thermoelectric Materials and Devices ; Topology Optimization in Engineering ; Thermal Radiation and Cooling Technologies
Authors: Joshua Edwards | Daniel Bennett | Michael S. Fuhrer | Mark T. Edmonds | Pankaj Sharma
Source: Small Structures (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Topological Polar Textures in van der Waals Moiré Superlattices Advances in condensed matter physics have ignited interest in topologically protected structures, where the interplay of lattice, charge, spin, and orbital degrees of freedom creates exotic real‐space nanotextures, such as swirls of spin or polar order (e.g., skyrmions and merons), with exciting potential for nanoelectronics and information‐processing applications. Electrically controllable polar nanoswirls are especially promising, though until recently were mostly limited to complex transition metal perovskite oxide heterostructures and superlattices. The rise of van der Waals ferroelectrics now enables tunable, truly two‐dimensional electrically switchable polar materials, and, strikingly, polar nanotextures have been observed in van der Waals moiré superlattices. This topical article explores polarization textures in twisted van der Waals moiré materials, discussing conditions for their formation, reviewing the current state of the art, and highlighting the key challenges and opportunities in this rapidly emerging field. van der Waals force ; Polar ; Degrees of freedom (physics and chemistry) ; Polarization (electrochemistry) ; Van der Waals strain ; Spin (aerodynamics) ; Superlattice 2D Materials and Applications ; Topological Materials and Phenomena ; Graphene research and applications
Authors: D K Jha
Source: ChemRxiv (article, 2026-02-25)
Field: Chemistry — Inorganic Chemistry

σ-Aromatic Stabilization of a Be₄ Core by NH Ligands: DFT Study Beryllium-based clusters exhibit diverse bonding motifs, ranging from weak van der Waals interactions in small aggregates to metallic-like delocalization in larger species. This paper presents a detailed investigation of the structural, thermodynamic, and electronic properties of the Be₄N₂H₂ cluster using density functional theory (DFT) at the TPSS/def2-TZVP and M06-2X/def2-TZVP levels of theory, augmented by high-level domain-based local pair natural orbital coupled-cluster (DLPNO-CCSD(T)) local energy decomposition (LED) analysis. Geometry optimization identifies a stable isomer featuring a compact Be₄ core coordinated by two NH units. Energy decomposition analysis combined with natural orbitals for chemical valence (EDA-NOCV) reveals a remarkably strong orbital interaction energy (ΔEorb = −370.62 kcal/mol), dominated by σ-type donation. High-level LED calculations quantify the dispersion contribution at approximately −5.7 kcal/mol. Kinetic stability is supported by a substantial HOMO-LUMO gap and the absence of imaginary vibrational frequencies. The bonding was further elucidated using Natural Bond Orbital (NBO) analysis, Adaptive Natural Density Partitioning (AdNDP), and topological methods including Interaction Region Indicator (IRI), Density Overlap Regions Indicator (DORI), Localized Orbital Locator (LOL), and delocalization indices (SEDI/DI), confirming σaromaticity and multicentre bonding in the Be₄ core. Natural bond orbital ; Delocalized electron ; van der Waals force ; Density functional theory ; Atomic orbital ; Orbital overlap ; Cluster (spacecraft) ; Molecular orbital ; Valence (chemistry) Synthesis and characterization of novel inorganic/organometallic compounds ; Synthesis and Properties of Aromatic Compounds ; Crystallography and molecular interactions
Authors: Debasish Giri | Ekta Chauhan | Govindasamy Mugesh
Source: Chemistry - A European Journal (article, 2026-01-28)
Field: Chemistry — Spectroscopy

Chalcogen‐Substituted Molecular Rotors as Polarity and Viscosity Sensors for Amyloid‐β Fibril Formation and Bioimaging Fluorescent molecular rotors (FMRs) sense their local environment by coupling emission to intramolecular rotation and twisted intramolecular charge transfer (TICT). Here we introduce a compact chromone-based donor-π-acceptor platform in which the acceptor is systematically chalcogen-substituted from O → S → Se → Te. This simple, isostructural series allows us to isolate the effect of chalcogen variation on ICT/TICT processes without changing the molecular framework. Steady-state spectroscopy and DFT reveal progressively narrowed HOMO-LUMO gaps and strengthened charge-transfer character across the series, consistent with heavier-chalcogen polarizability. The dyes exhibit strong solvatochromism and function as viscosity-sensitive probes: their emission intensity increases steadily with higher glycerol content, following the Förster-Hoffmann relationship. They also show a large increase in brightness from water to glycerol and have high quantum yields in viscous media. The probes are chemically robust against common interferents and pH within biologically relevant ranges. By exploiting rotor immobilization, the dye series exhibits strong, time-dependent fluorescence upon binding to amyloid-β (Aβ1-42) fibrils, comparable to Thioflavin T but with a red-shifted emission. In live HeLa cells the rotors are cell-permeable and biocompatible, yielding bright organelle labeling and reporting microviscosity changes induced by ionophore or lipid-loading treatments. Collectively, this study establishes chalcogen-substituted chromone rotors as a tunable, dual-function platform for polarity/viscosity mapping and amyloid detection and provides clear structure-property rules across the O/S/Se/Te series that can guide next-generation FMR design. Microviscosity ; Solvatochromism ; Intramolecular force ; Fluorescence ; Spectroscopy ; Photoexcitation ; Stokes shift ; Acceptor ; Intermolecular force Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Supramolecular Self-Assembly in Materials
Authors: Ullah Rahman
Source: American Journal of Translational Research (article, 2026-01-01)
Field: Materials Science — Biomaterials

Efficient differentiation of gonadal somatic cell-like cells (GSCLCs) using magnetic nanoparticles from mouse embryonic stem cells This study establishes that G-Fe<sub>3</sub>O<sub>4</sub>-NPs enable the cytokine independent derivation of GSCLCs from mES by driving lineage specification. This coordinated transcriptional, epigenetic, and metabolic reprogramming establishes a foundation for in vitro GSCLCs generation. Embryonic stem cell ; Somatic cell ; Stem cell ; Magnetic nanoparticles ; Cellular differentiation ; Embryogenesis ; Cell culture Nanoparticle-Based Drug Delivery ; Microfluidic and Bio-sensing Technologies ; Micro and Nano Robotics
Authors: Shuhei Nomura | Itsuki Kobayashi | Matsumi Doe | Rika Tanaka | Tamaki Nagasawa | Takanori Nishioka
Source: Dalton Transactions (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Flexible steric bulk of sugar wingtip substituents on bis(N-heterocyclic carbene) ligands of diplatinum complexes <i>via</i> chair–twist-boat conformational changes In the <i>p</i>-toluenethiolate-bridged diplatinum complex bearing ethylene-bridged bis(N-heterocyclic carbene) ligands, all four acetyl-protected glucopyranosyl wingtip substituents adopt the chair conformation, giving rise to an open structure around the Pt<sub>2</sub>S<sub>2</sub> core that allows the complex to react with a Grignard reagent. In contrast, in the corresponding diplatinum complex with <i>o</i>-xylene-bridged bis(N-heterocyclic carbene) ligands, two of the four acetyl-protected glucopyranosyl groups adopt the twist-boat conformation to relieve the steric repulsion among the wingtip <i>N</i>-substituents, resulting in a covered structure around the Pt<sub>2</sub>S<sub>2</sub> core that inhibits reaction with a Grignard reagent. Steric effects ; Core (optical fiber) ; Ring (chemistry) ; Bearing (navigation) ; Sugar N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Synthetic Organic Chemistry Methods ; Organometallic Complex Synthesis and Catalysis
Authors: Pedro Oscar Abate | José Francisco Rizo | Francisco José Fernández‐de‐Córdova | Abel Ros | Orestes Rivada-Wheelaghan
Source: ChemRxiv (article, 2026-01-14)
Field: Chemistry — Organic Chemistry

Acid–Responsive Rhenium(I) NHC Complexes: Pyrazine vs Pyridine Four rhenium(I) tricarbonyl complexes featuring pyridine- or pyrazine-functionalized N-heterocyclic carbenes have been synthesized and fully characterized, including determination of their molecular structures by single-crystal X-ray diffraction. Electrochemical and spectroelectrochemical measurements were also carried out. The development of isosteric Re(I) complexes enabled a direct comparison of how Brønsted and Lewis acids influence their electronic properties. Complexes containing the pyridyl core showed no detectable changes under either electrochemical or spectroscopic studies. In contrast, those bearing the pyrazine fragment exhibited significant shifts at both reductive and oxidative potentials, attributable to the extra nitrogen atom in the 1,4-diazine ring, which can interact with Brønsted (and Lewis) acids. In this regard, comparison of alkaline salts and Brønsted acids revealed that the presence of a Brønsted acid induces substantially larger electronic perturbations. Pyrazine ; Electrochemistry ; Pyridine ; Lone pair ; Nitrogen atom ; Nitrogen ; Lewis acids and bases N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Organic Light-Emitting Diodes Research ; Organometallic Complex Synthesis and Catalysis
Authors: Wei Zhou | Zhao-Yang Dong | Jian-Xin Li
Source: ArXiv.org (article, 2026-02-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Interaction-driven spin polaron in itinerant flat-band ferromagnetism Interaction effects are dramatically enhanced in flat-band systems due to quenched kinetics, facilitating the binding of single excitations into composite quasiparticles. In this work, we present a comprehensive study of spin polarons over the entire momentum and energy space within the Mielke-Tasaki model using projected exact diagonalization. We identify distinct low-energy spin polarons at momenta q=0 and q=π, and also find multiple high-energy branches of spin polaron. It is demonstrated that the interaction-induced Hartree dispersion plays a decisive role in determining the momentum sector of low-energy spin polarons. Furthermore, by introducing a finite bandwidth, we unravel the underlying binding mechanisms: the formation of low-energy spin polarons is governed by the conventional virtual exchange mechanism, whereas the high-energy spin polarons arise from a joint effect of the effective attraction and virtual exchange. Our results suggest promising avenues for realizing spin polaron crystals and exploring novel superconducting pairing mechanisms in moiré materials like twisted WSe2 and MoTe2. Polaron ; Pairing ; Ferromagnetism ; Spin (aerodynamics) ; Binding energy ; Antiferromagnetism ; Momentum (technical analysis) ; Exchange interaction Iron-based superconductors research ; 2D Materials and Applications ; Topological Materials and Phenomena
Authors: Muhammad Tariq | William Poston | Norah Aldosari | Gregory C. Jensen | Maryam Bizhani | Eric Stinaff
Source: Nanomaterials (article, 2026-01-24)
Field: Materials Science — Materials Chemistry

Proximity-Assisted Synthesis of Large Area MoS2 on Different Target Substrates by Chemical Vapor Deposition Using a Mo Nanofilm Substrate Despite efforts to produce scalable, substrate-independent, low-defect-density, and high-quality MoS<sub>2</sub>, this continues to be a critical challenge for industrial-scale applications. This work aims to present a chemical vapor deposition (CVD) method for growing high-quality and potentially large-area mono- to few-layer MoS<sub>2</sub> films via proximity between the Mo nanofilm substrate and the target substrates. By using stoichiometry-guided knowledge of Mo-S and Mo-O-S phase diagrams, Mo nanofilms are oxidized and then sulfurized under optimized conditions to grow high-quality, millimeter-scale mono- to few-layer MoS<sub>2</sub> films in proximity to the target substrate. We have achieved millimeter-scale continuous growth of MoS<sub>2</sub> revealed via optical microscopy. Two-dimensional Raman maps of Full Width at Half Maximum show high-quality growth, and photoluminescence-based B/A exciton amplitude ratio shows high crystalline and optical quality with low defect density. Chemical vapor deposition ; Substrate (aquarium) ; Raman spectroscopy ; Exciton ; Deposition (geology) ; Phase (matter) ; Metalorganic vapour phase epitaxy 2D Materials and Applications ; Metal and Thin Film Mechanics ; Catalysis and Hydrodesulfurization Studies