jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shiva Khani | Pejman Rezaei | Mohammad Rahmanimanesh
Source: Results in Engineering (article, 2025-10-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Single-narrowband graphene-based metamaterial absorber for bio-sensing applications with absorption prediction using machine learning analysis • In this study, a new metamaterial perfect absorber structure for hemoglobin concentration sensing is designed and analyzed. • The structure proposed here contains three different layers. The bottom layer is a metal gold layer; the middle one is a SiO 2 layer, and the top layer is composed of four sets of circular disk graphene resonators connected to each other and a ring graphene resonator. • The FDTD simulation results show that the structure produces a narrowband absorption peak at 1.755 THz in an almost wide frequency range of 1–3 THz with the absorptivity and FWHM values of 99.9 % and 125 GHz, respectively. • The values of two important parameters of sensitivity and figure of merit for the structure are 601 nm/RIU and 4.9 RIU -1 , respectively. • To predict the behavior of the metamaterial perfect absorber, the Extreme Randomized Tree regression model as a machine learning method is used. This method can decrease the resources by 90 %. Bio-sensors are among the most suitable candidates for detecting hemoglobin (Hb) molecules in human blood due to their high accuracy, fast performance, high reliability, low cost, and high sensitivity. Accordingly, a new metamaterial (MTM) perfect absorber (PA) for Hb concentration sensing is presented. The structure contains three different layers. The bottom layer is a metal gold layer; the second (middle) one is a SiO 2 layer, and the top layer is composed of four sets of circular disk graphene resonators connected to each other and a ring graphene resonator. Due to the symmetric topology of the MTM PA, it is a polarization-insensitive structure. The finite difference time domain (FDTD) method is utilized for numerical simulations of the MTM PA. A single narrowband absorption peak at 1.755 THz in an almost wide frequency range of 1–3 THz is created in the absorption curve. The absorptivity and full width at half maximum (FWHM) values of the created single band are 99.9 % and 125 GHz, respectively. Due to the single-mode and narrowness of the generated mode, the performance of the MTM PA as a sensor for Hb concentration sensing is also investigated. The sensitivity of 601 nm/RIU and FoM of 4.9 RIU -1 are obtained. Furthermore, to predict the behavior of the MTM PA, the Extreme Randomized Tree regression model (ERTRM) as a machine learning method is used. This method can decrease the resources by 90 %. The simple structure of the presented topology, and its high sensitivity make it a suitable option for biosensing applications. Metamaterial ; Resonator ; Absorption (acoustics) ; Metamaterial absorber ; Graphene ; Sensitivity (control systems) ; Stack (abstract data type) ; Full width at half maximum Metamaterials and Metasurfaces Applications ; Energy Harvesting in Wireless Networks ; Antenna Design and Analysis
Authors: Katsuhiko Ariga
Source: Materials (review, 2025-11-15)
Field: Materials Science — Biomaterials

Fascinating Frontier, Nanoarchitectonics, as Method for Everything in Materials Science Methodological fusion of materials chemistry, which enables us to create materials, with nanotechnology, which enables us to control nanostructures, could enable us to create advanced functional materials with well controlled nanostructures. Positioned as a post-nanotechnology concept, nanoarchitectonics will enable this purpose. This review paper highlights the broad scope of applications of the new concept of nanoarchitectonics, selecting and discussing recent papers that contain the term 'nanoarchitectonics' in their titles. Topics include controls of dopant atoms in solid electrolytes, transforming the framework of carbon materials, single-atom catalysts, nanorobots and microrobots, functional nanoparticles, nanotubular materials, 2D-organic nanosheets and MXene nanosheets, nanosheet assemblies, nitrogen-doped carbon, nanoporous and mesoporous materials, nanozymes, polymeric materials, covalent organic frameworks, vesicle structures from synthetic polymers, chirality- and topology-controlled structures, chiral helices, Langmuir monolayers, LB films, LbL assembly, nanocellulose, DNA, peptides bacterial cell components, biomimetic nanoparticles, lipid membranes of protocells, organization of living cells, and the encapsulation of living cells with exogenous substances. Not limited to these examples selected in this review article, the concept of nanoarchitectonics is applicable to diverse materials systems. Nanoarchitectonics represents a conceptual framework for creating materials at all levels and can be likened to a method for everything in materials science. Developing technology that can universally create materials with unexpected functions could represent the final frontier of materials science. Nanoarchitectonics will play a significant part in achieving this final frontier in materials science. Scope (computer science) ; Nanorobotics ; Mesoporous material ; Nanosheet ; Nanodevice ; Soft materials Supramolecular Self-Assembly in Materials ; Dendrimers and Hyperbranched Polymers ; Graphene and Nanomaterials Applications
Authors: Chengyu Liang | Qingzhi Hu | Xiaojin Gao | Jie Wu | Hui Mei | Fei Qi | Laifei Cheng | Litong Zhang
Source: Materials Characterization (article, 2025-01-05)
Field: Materials Science — Ceramics and Composites

Accurate segmentation and quantitative evaluation of Cf/SiC fiber fracture defects using an enhanced deep learning method Materials science ; Fracture (geology) ; Segmentation ; Fiber ; Composite material ; Artificial intelligence ; Computer science Advanced ceramic materials synthesis ; Advanced Surface Polishing Techniques ; Integrated Circuits and Semiconductor Failure Analysis
Authors: Christos Argirusis | Niyaz Alizadeh | Maria-Εleni Katsanou | Nikolaos Argirusis | Georgia Sourkouni
Source: Batteries (article, 2025-05-14)
Field: Chemistry — Inorganic Chemistry

Advances in Metal-Organic Frameworks (MOFs) for Rechargeable Batteries and Fuel Cells The growing demand for energy, coupled with the unsustainable nature of fossil fuels due to global warming and the greenhouse effect, have led to the advancement of renewable energy production concepts. Innovations such as photovoltaics, wind energy, and infrared energy harvesters are emerging as viable solutions. The challenge lies in the stochastic nature of renewable energy sources, which necessitates the implementation of electrical energy storage solutions, whether through batteries, supercapacitors, or hydrogen production. In this regard, innovative materials are essential to address the questions associated with these technologies. Metal-organic frameworks (MOFs) are crucial for achieving clean and efficient energy conversion in fuel cells and storage in batteries and supercapacitors. Metal-organic frameworks (MOFs) can be used as electrocatalytic materials, membranes for electrolytes, and energy storage materials. They exhibit exceptional design versatility, large surface, and can be functionalized with ligands with several charges and metallic centers. This article offers an in-depth examination of materials and devices utilizing metal-organic frameworks (MOFs) for electrochemical processes concerning the generation, transformation, and storage of electrical energy. This review specifically focuses on rechargeable batteries and fuel cells that incorporate MOFs. Finally, an outlook on the potential applications of MOFs in electrochemical industries is presented. Metal-organic framework ; Fuel cells ; Materials science ; Waste management ; Nanotechnology ; Process engineering ; Environmental science ; Chemical engineering ; Chemistry ; Engineering ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Advancements in Battery Materials ; Advanced Battery Materials and Technologies
Authors: M.M. Harussani | Cries Avian | Shuo Cheng | Sasipa Boonyubol | Jeffrey S. Cross
Source: Journal of Electroanalytical Chemistry (article, 2025-04-25)
Field: Materials Science — Materials Chemistry

Machine learning-driven prediction and optimization of selective glycerol electrocatalytic reduction into propanediols Electrochemical conversion of crude glycerol–a surplus by-product of biodiesel production–into value-added propanediols (PDO) presents a sustainable bioresource valorization. However, optimizing selective glycerol electrocatalytic reduction (ECR) remains challenging due to complex interactions among multiple reaction parameters. Here, we employ an integrated machine learning-driven optimization framework combining XGBoost with particle swarm optimization (PSO) to predict and optimize glycerol ECR performance, targeting both conversion rate (CR) and electroreduction product yields (ECR PY). A dataset of 446 experimental datapoints curated from published literature was used to train the XGBoost model, achieving high prediction accuracy (R 2 of 0.98 for CR; 0.80 for ECR PY), outperforming other algorithms and demonstrating robustness against unbalanced datasets. Feature analysis revealed that low-pH electrolytes and longer reaction times significantly enhance both outputs, while higher temperatures and carbon-based electrocatalysts positively influence ECR PY by facilitating C O bond cleavage in glycerol. XGBoost-PSO optimization predicted maximum CR (100 %) using a Pt cathode at 24.15 h, 24.66 °C, pH 1.08, 66.96 rpm stir rate, 0.43 M electrolyte concentration, and 0.28 A/cm 2 current density. Meanwhile, the highest ECR PY (53.29 %) was predicted with a carbon cathode at 22.27 h, 78.87 °C, pH 0.99, 650.18 rpm, 3.84 M electrolyte, and 0.14 A/cm 2 . Experimental validation confirmed the model's predictive accuracy within ∼10 % error. GC–MS further validated the selective formation of PDOs, with yield of 21.01 % under optimized conditions. This framework offers a robust, data-driven alternative to traditional trial-and-error approaches, providing mechanistic insights and practical guidance for scalable, economically viable glycerol ECR in biodiesel industry. • First ML-driven optimization of glycerol ECR, bridging key knowledge gaps. • XGBoost achieved high CR and ECR PY prediction accuracy–R test 2 of 0.98 and 0.80. • ∼pH 1 electrolyte, >80 °C temperature, carbon-based cathode enhanced PDO yields. • XGBoost-PSO optimized CR (100.26 %) and ECR PY (53.29 %) under set conditions. • Electrochemical tests validated ML prediction reliability with ∼10 % error. Chemistry ; Glycerol ; Reduction (mathematics) ; Electrocatalyst ; Combinatorial chemistry ; Electrochemistry ; Organic chemistry ; Electrode Machine Learning in Materials Science ; Fuel Cells and Related Materials ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: William C. Coley | Amir-Ali Akhavi | Pedro Peña | Ruoxu Shang | Yi Ma | Kevin Moseni | Mihrimah Ozkan | Cengiz S. Ozkan
Source: Nanomaterials (review, 2025-07-14)
Field: Materials Science — Materials Chemistry

Charging the Future with Pioneering MXenes: Scalable 2D Materials for Next-Generation Batteries MXenes, a family of two-dimensional carbide and nitride nanomaterials, have demonstrated significant promise across various technological domains, particularly in energy storage applications. This review critically examines scalable synthesis techniques for MXenes and their potential integration into next-generation rechargeable battery systems. We highlight both top-down and emerging bottom-up approaches, exploring their respective efficiencies, environmental impacts, and industrial feasibility. The paper further discusses the electrochemical behavior of MXenes in lithium-ion, sodium-ion, and aluminum-ion batteries, as well as their multifunctional roles in solid-state batteries-including as electrodes, additives, and solid electrolytes. Special emphasis is placed on surface functionalization, interlayer engineering, and ion transport properties. We also compare MXenes with conventional graphite anodes, analyzing their gravimetric and volumetric performance potential. Finally, challenges such as diffusion kinetics, power density limitations, and scalability are addressed, providing a comprehensive outlook on the future of MXenes in sustainable energy storage technologies. MXenes ; Scalability ; Nanotechnology ; Computer science ; Engineering ; Materials science MXene and MAX Phase Materials ; 2D Materials and Applications ; Advanced Memory and Neural Computing
Authors: Qilong Wu | Jiamin Wu | Maoping Xu | Yi Liu | Qian Tian | Chuang Hou | Guòan Tai
Source: Nanomaterials (review, 2025-04-25)
Field: Materials Science — Materials Chemistry

Boron Phosphide: A Comprehensive Overview of Structures, Properties, Synthesis, and Functional Applications Boron phosphide (BP), an emerging III-V semiconductor, has garnered significant interest because of its exceptional structural stability, wide bandgap, high thermal conductivity, and tunable electronic properties. This review provides a comprehensive analysis of BP, commencing with its distinctive structural characteristics and proceeding with a detailed examination of its exceptional physicochemical properties. Recent progress in BP synthesis is critically examined, with a focus on key fabrication strategies such as chemical vapor deposition, high-pressure co-crystal melting, and molten salt methods. These approaches have enabled the controlled growth of high-quality BP nanostructures, including bulk crystals, nanoparticles, nanowires, and thin films. Furthermore, the review highlights the broad application spectrum of BP, spanning photodetectors, sensors, thermal management, energy conversion, and storage. Despite these advances, precise control over the growth, morphology, and phase purity of BP's low-dimensional structures remains a critical challenge. Addressing these limitations requires innovative strategies in defect engineering, heterostructure design, and scalable manufacturing techniques. This review concludes by outlining future research directions that are essential for unlocking BP's potential in next-generation electronics, sustainable energy technologies, and multifunctional materials. Boron ; Phosphide ; Materials science ; Nanotechnology ; Chemistry ; Metallurgy ; Organic chemistry MXene and MAX Phase Materials ; Boron and Carbon Nanomaterials Research ; Inorganic Chemistry and Materials
Authors: Jinshuai Liu | Song Chen | Wenshuo Shang | Jintao Zhang
Source: EES batteries. (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

From surface chemistry to ion dynamics: mechanistic roles of MXenes in aqueous zinc-ion batteries Through surface chemistry modulation and ion transport regulation, MXenes serve as multifunctional components in aqueous zinc-ion batteries, enabling refined control over interfacial dynamics, structural stability, and charge storage mechanisms. MXenes ; Ion ; Aqueous solution ; Dynamics (music) ; Zinc ; Chemistry ; Chemical physics ; Molecular dynamics ; Nanotechnology ; Materials science ; Computational chemistry ; Physics ; Physical chemistry ; Organic chemistry MXene and MAX Phase Materials ; Advancements in Battery Materials ; Nanomaterials for catalytic reactions
Authors: Alexander Quandt | Daniel Wamwangi | Sandile Kumalo
Source: Photonics (article, 2025-05-31)
Field: Materials Science — Materials Chemistry

The Use of Core-Shell Nanoparticles in Photovoltaics The field of photovoltaics (PV) continually seeks innovative materials solutions to enhance the efficiency and the stability of their standard devices. Core-shell nanoparticles have emerged as a promising new technology with unique structural attributes and widely tunable properties. This paper reviews the use of plasmonic core-shell nanoparticles in PV applications through various experimental validations. We describe advancements in the design and in the control over the properties of core-shell nanoparticles and highlight their integration into various solar cells, based on their ability to finely tune optical, electronic, and chemical properties. We also discuss experimental results for organic, perovskite, and dye-sensitized solar cells, where core-shell nanoparticles have been successfully deployed. Additionally, we identify gaps in the current research, such as the need for scalable synthesis methods and long-term stability assessments, and we will point out promising new developments at the frontier of that field. Photovoltaics ; Nanoparticle ; Materials science ; Core (optical fiber) ; Shell (structure) ; Optoelectronics ; Nanotechnology ; Photovoltaic system ; Composite material ; Electrical engineering Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Nanowire Synthesis and Applications
Authors: Md. Sahab Uddin | Sumaiya Sumaiya | Syed Muhammad Osama | Syed Hassan Abbas
Source: Mechanics Exploration and Material Innovation (article, 2025-04-21)
Field: Materials Science — Materials Chemistry

Emerging Trends in 2D Materials: Beyond Graphene for Next-Generation Applications Two-dimensional (2D) materials have revolutionized material science due to their unique electronic, optical, and mechanical properties. While graphene initially spearheaded this field, the focus has expanded to encompass a diverse array of materials, including transition metal dichalcogenides (TMDs), hexagonal boron nitride (hBN), black phosphorus (BP), and emerging systems such as MXenes and layered perovskites. These materials offer tunable bandgaps, superior carrier mobilities, and novel physical phenomena, paving the way for groundbreaking advancements in electronics, photonics, energy storage, and biomedical applications. This review examines recent progress in 2D materials beyond graphene, highlighting synthesis techniques, properties, and key applications, and discusses the challenges and future directions in this rapidly evolving domain. Graphene ; Nanotechnology ; Materials science ; Computer science 2D Materials and Applications ; Graphene research and applications ; MXene and MAX Phase Materials
Authors: A. Arun | Niranjana Sreenivasan | Jagadish H Patil | Raviraj Kusanur | Harisha Ramachandraiah | Mushti V. Ramakrishna
Source: Processes (review, 2025-11-28)
Field: Materials Science — Materials Chemistry

Thin Films for Next Generation Technologies: A Comprehensive Review of Fundamentals, Growth, Deposition Strategies, Applications, and Emerging Frontiers Thin films have become indispensable in shaping the landscape of modern and future technologies, offering versatile platforms where properties can be engineered at the atomic to microscale to deliver performance unattainable with bulk materials. Historically evolving from protective coatings and optical layers, the field has advanced into a highly interdisciplinary domain that underpins innovations in microelectronics, energy harvesting, optoelectronics, sensing, and biomedical devices. In this review, a structured approach has been adopted to consolidate the fundamentals of thin film growth and the governing principles of nucleation, surface dynamics, and interface interactions, followed by an in-depth comparison of deposition strategies such as physical vapor deposition, chemical vapor deposition, atomic layer deposition (ALD), and novel solution-based techniques, highlighting their scalability, precision, and application relevance. By critically evaluating experimental studies and technological implementations, this review identifies key findings linking microstructural evolution to device performance, while also addressing the pressing challenges of stability, degradation pathways, and reliability under operational stresses. The synthesis of evidence points to the transformative role of advanced deposition controls, in situ monitoring, and emerging AI-driven optimization in overcoming current bottlenecks. Ultimately, this work concludes that thin film technologies are poised to drive the next generation of sustainable, intelligent, and multifunctional devices, with emerging frontiers such as hybrid heterostructures, quantum materials, and bio-integrated systems charting the future roadmap. Thin film ; Atomic layer deposition ; Microscale chemistry ; Chemical vapor deposition ; Deposition (geology) ; Physical vapor deposition ; Transformative learning ; Emerging technologies Electronic and Structural Properties of Oxides ; Semiconductor materials and devices ; Optical Coatings and Gratings
Authors: Aurelia Magdalena Pisoschi | Florin Iordache | Loredana Stanca | P. Roşu | Nicoleta Ciocîrlie | Ovidiu Ionuț Geicu | Liviu Bîlteanu | Andreea Iren Șerban
Source: Chemosensors (article, 2025-07-23)
Field: Chemistry — Electrochemistry

Electrochemical Nanosensors Applied to the Assay of Some Food Components—A Review Nanomaterials’ special features enable their extensive application in chemical and biochemical nanosensors for food assays; food packaging; environmental, medicinal, and pharmaceutical applications; and photoelectronics. The analytical strategies based on novel nanomaterials have proved their pivotal role and increasing interest in the assay of key food components. The choice of transducer is pivotal for promoting the performance of electrochemical sensors. Electrochemical nano-transducers provide a large active surface area, enabling improved sensitivity, specificity, fast assay, precision, accuracy, and reproducibility, over the analytical range of interest, when compared to traditional sensors. Synthetic routes encompass physical techniques in general based on top–down approaches, chemical methods mainly relying on bottom–up approaches, or green technologies. Hybrid techniques such as electrochemical pathways or photochemical reduction are also applied. Electrochemical nanocomposite sensors relying on conducting polymers are amenable to performance improvement, achieved by integrating redox mediators, conductive hydrogels, and molecular imprinting polymers. Carbon-based or metal-based nanoparticles are used in combination with ionic liquids, enhancing conductivity and electron transfer. The composites may be prepared using a plethora of combinations of carbon-based, metal-based, or organic-based nanomaterials, promoting a high electrocatalytic response, and can accommodate biorecognition elements for increased specificity. Nanomaterials can function as pivotal components in electrochemical (bio)sensors applied to food assays, aiming at the analysis of bioactives, nutrients, food additives, and contaminants. Given the broad range of transducer types, detection modes, and targeted analytes, it is important to discuss the analytical performance and applicability of such nanosensors. Nanosensor ; Electrochemistry ; Nanotechnology ; Environmental science ; Biochemical engineering ; Computer science ; Chemistry ; Materials science ; Engineering ; Electrode Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Conducting polymers and applications
Authors: Shuang Ni | Jiaxin Jiang | Weiyi Wang | Xiaojun Wu | Zhiwen Zhuo | Zhuo Wang
Source: Journal of Materials Chemistry A (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Beryllium dinitride monolayer: a multifunctional direct bandgap anisotropic semiconductor containing polymeric nitrogen with oxygen reduction catalysis and potassium-ion storage capability The novel α-2D-BeN 2 monolayer shows exceptional potential as a multifunctional semiconductor for ORR/OER catalysis as well as for potassium-ion batteries. Monolayer ; Potassium ; Materials science ; Beryllium ; Inorganic chemistry ; Nitrogen ; Semiconductor ; Catalysis ; Band gap ; Oxygen ; Chemistry ; Chemical engineering ; Nanotechnology ; Optoelectronics ; Organic chemistry ; Metallurgy Inorganic Chemistry and Materials ; Semiconductor materials and devices ; Ammonia Synthesis and Nitrogen Reduction