jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Davide Mesto | Michele Orza | Brunella Bardi | Angela Punzi | Imma Ratera | Jaume Veciana | Gianluca M. Farinola | Anna Painelli | Francesca Terenziani | Davide Blasi | Fabrizia Negri
Source: Chemistry - A European Journal (article, 2025-03-12)
Field: Chemistry — Organic Chemistry

Luminescent Trityl‐based Diradicaloids: A Theoretical and Experimental Assessment of Charge‐Resonance in Low‐Lying Excited States The tris(2,4,6-trichlorophenyl)methyl radical (TTM) has inspired the synthesis of several luminescent diradicaloids, providing an extraordinary opportunity to control the nature of the low-lying excited states by fine-tuning the diradical character. However, the photophysical properties of TTM-derived diradicals remain not fully understood yet. Here we present a combined theoretical and experimental investigation to elucidate the origin of their luminescence. The theoretical analysis explores a series of symmetric TTM-derived diradicals with singlet ground state and increasingly longer π-conjugated spacers between radical moieties, focussing on the nature of the lowest excited electronic states governing their photophysics. The study is complemented by a complete spectroscopic characterization of the TTM-TTM diradical, synthesized using a novel, simpler and more efficient procedure exploiting the unique reactivity of TTM. The diradicals feature two novel low-lying excited states, absent in TTM, arising from charge resonance (CR) between the radical units. The lowest CR state is characterized by the H,H→L,L double excitation (DE) and is a dark state for symmetric diradicals. The CR nature explains the blue-shifted emission observed by increasing the distance between the radical centres as seen in TTM-ph-TTM. This insight suggests different design strategies to improve the luminescence properties of TTM-derived diradicals. Diradical ; Excited state ; Luminescence ; Chemistry ; Resonance (particle physics) ; Singlet state ; Photochemistry ; Singlet fission ; Excitation ; Chemical physics ; Atomic physics ; Materials science ; Physics ; Optoelectronics Synthesis and Properties of Aromatic Compounds ; Organic Light-Emitting Diodes Research ; Luminescence and Fluorescent Materials
Authors: Jai Kumar | Nadeem Hussain Solangi | Rana R. Neiber | Fangyuan Bai | Bharat Prasad Sharma | Victor Charles | Pengfei Zhai | Zhuanpei Wang | Xiaowei Yang
Source: Coordination Chemistry Reviews (review, 2025-04-16)
Field: Materials Science — Materials Chemistry

Chemical perspectives on synthesis, functionalization, artificial intelligence, and energy storage applications of layered double hydroxides-based nanomaterials: A comprehensive review Chemistry ; Surface modification ; Layered double hydroxides ; Nanomaterials ; Nanotechnology ; Energy storage ; Organic chemistry ; Catalysis Layered Double Hydroxides Synthesis and Applications ; Advanced battery technologies research ; Polyoxometalates: Synthesis and Applications
Authors: Ziyue Jiang | Yongtao Li | Ziyu Tang | Dingkun Yuan | Fawei Lin
Source: Environmental Science & Technology (review, 2025-09-06)
Field: Materials Science — Materials Chemistry

Strong Metal–Support Interactions in Catalytic Oxidation of VOCs: Mechanistic Insights, Support Engineering Strategies, and Emerging Catalyst Design Paradigms Volatile organic compounds (VOCs) significantly impact air quality as photochemical smog precursors and health hazards. Catalytic oxidation is a leading VOC abatement method but suffers from catalyst deactivation due to metal sintering and competitive adsorption in complex mixtures. Strong metal-support interactions (SMSIs) provide atomic level control of interfacial electronic and geometric structures. SMSI enables bidirectional charge transfer, d band center modulation, oxygen vacancy generation, and tunable encapsulation that together promote O<sub>2</sub> activation, lower barriers, and impart thermal and chemical robustness. This review synthesizes mechanistic insights and recent progress in SMSI-enabled VOC oxidation, integrating in situ and operando probes with kinetics. Reactivity and selectivity across aromatics, alkanes, oxygenates, and chlorinated species are rationalized by SMSI-mediated tuning of adsorption and intermediate evolution. Practical levers include control of particle size and dispersion, core-shell architectures, metal loading, and support acidity or basicity. Emerging directions include single atom catalysts, high entropy alloys, and nonmetal supports. Key challenges concern the dynamic evolution of SMSI under realistic feeds and the scalable, reproducible synthesis of interfaces. Future developments combining in situ characterization with data-driven catalyst design hold promise for achieving durable, high-performance VOC abatement with reduced precious metal usage. Catalysis ; Adsorption ; Selectivity ; Metal ; Heterogeneous catalysis ; Reactivity (psychology) ; Catalytic oxidation ; Sintering Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Advanced Photocatalysis Techniques
Authors: Sarah K. Yorke | Zhenze Yang | Elizabeth G. Wiita | Ayaka Kamada | Tuomas P. J. Knowles | Markus J. Buehler
Source: Nature Reviews Materials (review, 2025-04-14)
Field: Materials Science — Biomaterials

Design and sustainability of polypeptide material systems Sustainability ; Materials science ; Business ; Biology ; Ecology Silk-based biomaterials and applications ; biodegradable polymer synthesis and properties ; Supramolecular Self-Assembly in Materials
Authors: Mingxin Zhou | Panlai Li | Xue Meng | Xiaoxue Huo | Yu Wang | Hao Suo | Guodong Zhang | Zhijun Wang
Source: Chemical Engineering Journal (article, 2025-01-11)
Field: Materials Science — Materials Chemistry

Local electric field-induced mechanoluminescence caused by disordered occupation of Mg2+ and Ga3+: Tunable luminescence performance and its applications Mechanoluminescence ; Luminescence ; Electric field ; Materials science ; Field (mathematics) ; Optoelectronics ; Engineering physics ; Physics ; Quantum mechanics ; Mathematics Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials ; Inorganic Fluorides and Related Compounds
Authors: Junxin Chen | Shengyu Cong | Riping Liu | Jiayao Duan | Chaoyue Chen | Dongsheng Yu | Xiuyuan Zhu | Chong Ran | Du Cheng | Zhengke Li | Iain McCulloch | Wan Yue
Source: Angewandte Chemie International Edition (article, 2025-01-29)
Field: Materials Science — Polymers and Plastics

Imine‐Based Polymeric Mixed Ionic–Electronic Conductors Featuring Degradability and Biocompatibility for Transient Bioinspired Electronics Degradable features are highly desirable to advance next-generation organic mixed ionic-electronic conductors (OMIECs) for transient bioinspired artificial intelligence devices. It is highly challenging that OMIECs exhibit excellent mixed ionic-electronic behavior and show degradability simultaneously. Specially, in OMIECs, doping is often a tradeoff between structural disorder and charge carrier mobilities. Here, we describe a regiochemistry-driven backbone curvature approach to prepare OMIECs, enabling doped state ordered within efficient ionic-electronic conduction in organic electrochemical transistors (OECTs) and presenting degradable characteristics. Significantly, i-3gTIT shows an outstanding mobility (1.99 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup>) and μC* (302 F V<sup>-1</sup> cm<sup>-1</sup> s<sup>-1</sup>), and presents higher disorder-tolerance upon doping and faster degradation behavior than its regioisomer, o-3gTIT. Especially, the resulting OECT-based inverter shows a high voltage gain of 31.6 V V<sup>-1</sup> at a low driving voltage of 0.6 V. Moreover, we demonstrate an application of transient OECT, i. e., biodegradable solid-state electrolyte of OECT-based artificial synapses. Remarkably, the regiochemistry-driven film crystallinity modulation enables the conversion from volatile to non-volatile operation in such synapses. The transient synapse based on i-3gTIT achieves over 90 % recognition accuracy for small digit handwritten images, showing potential in security neuromorphic computing. Our work is the first presentation enabling excellent mixed conduction of OMIECs with degradable features for transient bioinspired electronics. Materials science ; Ionic bonding ; Nanotechnology ; Electrolyte ; Organic electronics ; Doping ; Transistor ; Optoelectronics ; Chemistry ; Electrode ; Voltage ; Electrical engineering ; Ion ; Organic chemistry Conducting polymers and applications ; Advanced Memory and Neural Computing ; Advanced Sensor and Energy Harvesting Materials
Authors: Xiankui Xu | Dawei Xu | Xue Zhou | Jing Huang | Shiting Gu | Zhonghai Zhang
Source: Nature Communications (article, 2025-02-18)
Field: Materials Science — Polymers and Plastics

Implantable photoelectrochemical-therapeutic methotrexate monitoring system with dual-atomic docking strategy The need for precise modulation of blood concentrations of pharmaceutical molecule, especially for high-risk drugs like Methotrexate (MTX), is underscored by the significant impact of individual variations on treatment efficacy. Achieving selective recognition of pharmaceutical molecules within the complex biological environment is a substantial challenge. To tackle this, we propose a synergistic atomic-molecular docking strategy that utilizes a hybrid-dual single-atom Fe1-Zn1 on a TiO2 photoelectrode to selectively bind to the carboxyl and aminopyrimidine groups of MTX respectively. By integrating this Fe<sub>1</sub>-Zn<sub>1</sub>-TiO<sub>2</sub> photoelectrode with a microcomputer system, an implantable photoelectrochemical-therapeutic drug monitoring (PEC-TDM) system is developed for real-time, continuous in vivo MTX monitoring. This system facilitates personalized therapeutic decision-making and intelligent drug delivery for individualized cancer therapy, potentially revolutionizing oncological care and enhancing patient outcomes. Docking (animal) ; Dual (grammatical number) ; Computer science ; Methotrexate ; Chemistry ; Nanotechnology ; Combinatorial chemistry ; Materials science ; Medicine ; Internal medicine Conducting polymers and applications ; Luminescence Properties of Advanced Materials ; Electrochemical sensors and biosensors
Authors: Hao Wang | Long Chen | Yao Wu | Suwan Li | Guangshan Zhu | Wei Liao | Yi Zou | Tao Chu | Qiuyun Fu | Wen Dong
Source: Light Science & Applications (review, 2025-05-12)
Field: Materials Science — Materials Chemistry

Advancing inorganic electro-optical materials for 5 G communications: from fundamental mechanisms to future perspectives In the 5 G era, the demand for high-capacity and fast fiber-optic communication underscores the importance of inorganic optical materials with high electro-optical (EO) coefficients, rapid responses, and stability for efficient electro-optical modulators. The exploration of novel EO materials and their applications remains in the early stages. At present, research mainly focuses on the performance of EO materials and devices. However, the EO coefficients of different preparation methods for the same material and different materials vary significantly. Currently, a crucial gap lies in understanding the link between the EO effect and ferroelectric polarization, hindering advancements in ferroelectric material optimization. This article offers a comprehensive insight into the EO effect, initially discussing ferroelectric polarization and its relationship to the phenomenon. It then reviews standard inorganic ABO<sub>3</sub> metal oxide ferroelectric ceramics and thin films, followed by an examination of emerging ferroelectrics such as HfO<sub>2</sub>-based polymorph ferroelectrics and ZnO/AlN-based materials. The article concludes by addressing the challenges in investigating ferroelectric EO mechanisms and provides an outlook on the future of EO material research, including a review of the latest developments in EO effect mechanisms and their optimization for light modulation, as well as an exploration of potential areas for high-performance EO materials research. Ferroelectricity ; Materials science ; Polarization (electrochemistry) ; Nanotechnology ; Optical materials ; Optical communication ; Optoelectronics ; Engineering physics ; Dielectric ; Chemistry ; Physics Ferroelectric and Piezoelectric Materials ; Ferroelectric and Negative Capacitance Devices ; Acoustic Wave Resonator Technologies
Authors: Bosen Lei | Cheng Zhou | Kaini Zhang | Junwei Li | Huanran Miao | Huai Wang | Qikui Fan | Zhimao Yang | Ge Wang | Yong Li | Chuncai Kong
Source: Advanced Functional Materials (article, 2025-02-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasma‐Induced Geometry Engineering in High‐Entropy Oxide Composites for Superior Electromagnetic Absorption Abstract The dielectric and magnetic coexistence behavior of high entropy oxides (HEOs) injects infinite dynamism in promoting electromagnetic wave (EMW) absorption, but precisely constructing their regular geometries at the nanoscale remains challenging. Herein, the controlled preparation of reduced graphite oxide loaded (CoFeNiCuMn)O with various geometries by a rapid plasma process is reported. Modifying only the metal content of the precursor can effectively influence the morphology and dielectric properties of the resulting derivatives, achieving well‐matched impedance and ensuring outstanding absorption performance. The results show that the truncated octahedral HEO/RGO composite exhibits the strongest absorbing capacity, with a minimum reflection loss of −57 dB at 14.1 GHz and the corresponding effective absorption bandwidth covering 4.13 GHz. Moreover, the constitutive relationship between the multi‐element synergies of high entropy oxides and the microwave absorption characteristics is systematically explored, and the absorbing mechanism is proposed. Delayed wireless charging time and the simulated values of RCS less than −10 dBm 2 at the whole detection angles further demonstrate its dissipation capability in practical application scenarios. This study not only enriches the variety of lightweight and efficient absorbing materials but also guides for the new configuration design of HEOs. Materials science ; Composite material ; Absorption (acoustics) ; Plasma ; Oxide ; Electromagnetic radiation ; Optics ; Metallurgy Electromagnetic wave absorption materials ; Magnesium Oxide Properties and Applications ; Magnetic Properties and Synthesis of Ferrites
Authors: Jusu M. Ngobeh | Vishal Sorathiya | Abdullah Alwabli | Amar Y. Jaffar | Osama S. Faragallah
Source: Scientific Reports (article, 2025-01-15)
Field: Materials Science — Materials Chemistry

MXene-based multilayered and ultrawideband absorber for solar cell and photovoltaic applications We proposed the ultrawideband solar absorber using the multisized metal resonator oriented on the top of the multilayered Metal-SiO₂-MXene-MgF₂-Tungsten structure. We have carried out a numerical investigation of this structure for the 100-2500 THz frequency, which covers the infrared, visible, and UV spectra. The proposed solar absorber is numerically investigated for the different physical parameters, such as the height of the layers, unit cell size, and resonator orientation, to identify optimized results for the high absorption capacity. The structure presented in the study shows promise, with an average absorption of 80% over the large frequency spectrum of 100-2500 THz. This structure was also investigated for the variation in oblique incident angle, which showcases the absorption stability up to 60⁰ of the incident angle. We have also reported the comparative analysis for this proposed absorber structure with other designs, demonstrating the absorption efficiency over infrared, visible, and UV spectra. The proposed structure and discrete resonator length can offer a better solution for trapping the different frequency ranges, resulting in high absorption over a wideband frequency. This study can be applied to designing highly efficient parasitic solar absorber structures, which are essential to highly efficient photovoltaic and solar cell design. Photovoltaic system ; Solar cell ; Materials science ; Optoelectronics ; Computer science ; Engineering ; Electrical engineering MXene and MAX Phase Materials ; Energy Harvesting in Wireless Networks ; Antenna Design and Analysis
Authors: Subrata Dolui | Bhanendra Sahu | Sanjib Banerjee
Source: Macromolecular Chemistry and Physics (article, 2025-01-27)
Field: Chemistry — Organic Chemistry

Stimuli‐Responsive Functional Polymeric Materials: Recent Advances and Future Perspectives Abstract Inspired by the extreme structural complexity and functional efficiency of biomolecules, researchers have developed stimuli‐responsive materials, capable of adapting their structural conformations and physicochemical properties upon external changes in temperature, pH, light, etc. These materials can expand, contract, or bend in response to external stimuli, which makes them useful for a variety of applications such as biomedicine, sensors, shape‐memory devices, and smart interface materials. Multistimuli‐responsive materials exhibit enhanced features than single‐/dual‐responsive materials, affording enhanced fine tuning of their parameters. Among such materials, reversibly cross‐linked networks have generated increasing interest recently due to their 3D architecture and unique properties, based on the low viscosity, good solubility, and high functionality of the building blocks, which can be further modified. In order to achieve dynamic self‐assembly, future research on stimuli‐responsive macromolecular self‐assembly should mimic thec structures, functions, and processes found in nature. Polymer science ; Nanotechnology ; Materials science ; Polymer chemistry Advanced Polymer Synthesis and Characterization ; Polymer composites and self-healing ; biodegradable polymer synthesis and properties
Authors: Liuxiang Yang | Kah Chun Lau | Zhidan Zeng | Dongzhou Zhang | Hu Tang | Bingmin Yan | Guoliang Niu | Huiyang Gou | Yanping Yang | Wenge Yang | Duan Luo | Ho‐kwang Mao
Source: Nature (article, 2025-07-30)
Field: Materials Science — Materials Chemistry

Synthesis of bulk hexagonal diamond Diamond ; Hexagonal crystal system ; Materials science ; Crystallography ; Nanotechnology ; Chemistry ; Metallurgy Diamond and Carbon-based Materials Research ; Boron and Carbon Nanomaterials Research ; Graphene research and applications
Authors: Min Zheng | Fangtian Liu | Di Yang | Chaoji Chen | X. Dong | Hongbing Deng
Source: Chemical Engineering Journal (article, 2025-07-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Chitosan-intercalated rectorite/biomass carbon aerogels with enhanced heterogeneous interfaces for broadband microwave absorption Broadband ; Microwave ; Absorption (acoustics) ; Materials science ; Chemical engineering ; Carbon fibers ; Chitosan ; Biomass (ecology) ; Composite number ; Composite material ; Telecommunications ; Engineering ; Geology Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Metamaterials and Metasurfaces Applications
Authors: Arash Fattah‐alhosseini | Razieh Chaharmahali | Burak Dikici | Mosab Kaseem
Source: International Journal of Refractory Metals and Hard Materials (review, 2025-01-14)
Field: Materials Science — Biomaterials

A comprehensive review of plasma electrolytic oxidation (PEO) of tantalum (Ta): Mechanisms, properties, and applications Tantalum ; Plasma electrolytic oxidation ; Electrolyte ; Materials science ; Plasma ; Chemical engineering ; Metallurgy ; Chemistry ; Engineering ; Electrode ; Physical chemistry ; Physics Magnesium Alloys: Properties and Applications ; Advanced materials and composites ; Magnesium Oxide Properties and Applications
Authors: Linji Yang | Ciyuan Huang | Zhou Yang | Libin Zhang | Ke Sun | Houjin Luo | Yinna Liang | Yilin Wang | Tao Yang | Wei Ma | Donglou Ren | Cong Liu | Heng Zhang | Kai Chen | Hongxiang Zhu | Jianhua Xiong | Bingsuo Zou | Shuangfei Wang | Tao Liu
Source: Exploration (article, 2025-02-04)
Field: Materials Science — Polymers and Plastics

Efficient Ternary Organic Photovoltaic Films for Fast Exciton Separation to Generate Free Radicals for Wastewater Treatment Given the effectiveness of organic pollutants photodegradation and the excellent photovoltaic nature of organic solar cells (OSCs), this work first innovatively integrated the cross-fields of OSCs and environmental photocatalysis. Using knowledge of OSC morphology, an insertion strategy involved adding a suitable quantity of guest acceptor (Y6-O) to the PM6 donor polymer and BTP-2F-ThCl host small molecule acceptor system. Y6-O leads to tighter π-π packing, reduced domain size, and improved domain purity, resulting in favorable morphology for charge generation and transfer in devices and an improved power conversion efficiency (PCE) from 17.1% to 18.1%. Moreover, terpolymer organic photovoltaic films were applied to wastewater treatment, gaining ions Sb(III) and Sb(V) removals of 100% in 15 min, and guaiacol photodegradations of 90% in 1 h. This work significantly prompts the development of organic photovoltaics and wastewater treatment and opens views for multifunctional organic photovoltaic material applications. Organic solar cell ; Materials science ; Photovoltaic system ; Ternary operation ; Acceptor ; Polymer ; Chemical engineering ; Wastewater ; Photocatalysis ; Photovoltaics ; Nanotechnology ; Organic chemistry ; Chemistry ; Environmental engineering ; Catalysis ; Environmental science ; Composite material ; Computer science ; Electrical engineering Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Luminescence and Fluorescent Materials
Authors: Anbazhagan Thirumalai | Koyeli Girigoswami | Karthick Harini | Venkatakrishnan Kiran | P. Durgadevi | Agnishwar Girigoswami
Source: ADMET & DMPK (article, 2025-01-03)
Field: Materials Science — Biomaterials

Natural polymer derivative-based pH-responsive nanoformulations with entrapped diketo-tautomers of 5-fluorouracil for enhanced cancer therapy In acidic conditions, there is a greater release of 5-FU than neutral pH levels, indicating a pH-responsive release profile beneficial for cancer treatment, with the release mechanism of OSANPs following Fickian diffusion as identified by a Korsmeyer-Peppas mathematical model and the formulation showing improved therapeutic efficacy. Fluorouracil ; Derivative (finance) ; Natural polymers ; Tautomer ; Cancer ; Polymer ; Medicine ; Chemistry ; Medicinal chemistry ; Internal medicine ; Organic chemistry ; Business Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications