jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Abdul Hanan | Faiza Bibi | George Elsa | Arshid Numan | Rashmi Walvekar | Mohammad Khalid
Source: Materials Today Energy (review, 2025-04-29)
Field: Materials Science — Materials Chemistry

A comprehensive review of double transition metal MXene (Mo2Ti2C3Tx) in energy storage, conversion, and harvesting Molybdenum titanium carbide (Mo 2 Ti 2 C 3 T x ), an emerging double-transition-metal (DTM) carbide MXene, has attracted considerable interest due to its exceptional physicochemical properties and diverse applications in energy-related technologies. This review provides a comprehensive overview of recent progress in Mo 2 Ti 2 C 3 T x research, focusing on synthesis strategies, structural characteristics, and energy storage and conversion capabilities. The key aspects discussed include the intrinsic structural and electrochemical properties of the material, which contribute to its outstanding performance in supercapacitors, lithium-ion batteries, and electrocatalytic applications. Their high electrical conductivity, large surface area, and chemical stability underlie their efficiency in these applications. In addition, its thermoelectric potential, which is highlighted by its high Seebeck coefficient and power factor, makes it a promising energy-harvesting material. Despite these advantages, challenges remain in achieving scalable production, long-term operational stability, and comprehensive mechanistic understanding of interfacial processes and degradation pathways. Future research should prioritise hybrid architectures combining Mo 2 Ti 2 C 3 T x with polymers, 2D materials, or metal oxides to intensify synergistic effects, as well as computational modelling to unravel the structure-property relationships. Addressing scalability through eco-friendly, high-yield synthesis routes is pivotal for the transition of laboratory-scale innovations into commercial applications. By summarising recent advancements and identifying critical research gaps, this review aims to facilitate further development and practical use of Mo 2 Ti 2 C 3 T x MXene in next-generation energy technologies. • Mo 2 Ti 2 C 3 T x MXene excels in energy storage and electrocatalysis. • High conductivity and structural stability enable superior device performance. • Hybrid architectures enhance the efficiency of energy storage and conversion. • High thermoelectric potential for efficient energy harvesting applications. Materials science ; Energy storage ; Energy harvesting ; Nanotechnology ; Energy (signal processing) MXene and MAX Phase Materials ; Energy Harvesting in Wireless Networks ; Wireless Power Transfer Systems
Authors: Xu Huang | Bowen Deng | Peichen Zhong | Aaron D. Kaplan | Kristin A. Persson | Gerbrand Ceder
Source: npj Computational Materials (article, 2025-10-21)
Field: Materials Science — Materials Chemistry

Cross-functional transferability in foundation machine learning interatomic potentials Abstract The rapid development of foundation potentials (FPs) in machine learning interatomic potentials demonstrates the possibility for generalizable learning of the universal potential energy surface. The accuracy of FPs can be further improved by bridging the model from lower-fidelity datasets to high-fidelity ones. In this work, we analyze the challenge of this transfer learning (TL) problem within the CHGNet framework. We show that significant energy scale shifts and poor correlations between GGA and r 2 SCAN hinder cross-functional transferability. By benchmarking different TL approaches on the MP-r 2 SCAN dataset, we demonstrate the importance of elemental energy referencing in the TL of FPs. By comparing the scaling law with and without the pre-training on a low-fidelity dataset, we show that significant data efficiency can still be achieved through TL, even with a target dataset of sub-million structures. We highlight the importance of proper TL and multi-fidelity learning in creating next-generation FPs on high-fidelity data. Transferability ; Benchmarking ; Bridging (networking) ; Scaling ; Energy (signal processing) ; Foundation (evidence) ; Interatomic potential ; Energy transfer Machine Learning in Materials Science ; Advanced Memory and Neural Computing ; Force Microscopy Techniques and Applications
Authors: Jorge Alexandre Alencar Fotius | Helinando Pequeno de Oliveira
Source: Solids (article, 2025-08-01)
Field: Materials Science — Materials Chemistry

MXene-Based Composites for Energy Harvesting and Energy Storage Devices MXenes, a class of two-dimensional transition metal carbides and nitrides, emerged as a promising material for next-generation energy storage and corresponding applications due to their unique combination of high electrical conductivity, tunable surface chemistry, and lamellar structure. This review highlights recent advances in MXene-based composites, focusing on their integration into electrode architectures for the development of supercapacitors, batteries, and multifunctional devices, including triboelectric nanogenerators. It serves as a comprehensive overview of the multifunctional capabilities of MXene-based composites and their role in advancing efficient, flexible, and sustainable energy and sensing technologies, outlining how MXene-based systems are poised to redefine multifunctional energy platforms. Electrochemical performance optimization strategies are discussed by considering surface functionalization, interlayer engineering, scalable synthesis techniques, and integration with advanced electrolytes, with particular attention paid to the development of hybrid supercapacitors, triboelectric nanogenerators (TENGs), and wearable sensors. These applications are favored due to improved charge storage capability, mechanical properties, and the multifunctionality of MXenes. Despite these aspects, challenges related to long-term stability, sustainable large-scale production, and environmental degradation must still be addressed. Emerging approaches such as three-dimensional self-assembly and artificial intelligence-assisted design are identified as key challenges for overcoming these issues. Energy harvesting ; Energy storage ; Materials science ; Composite material ; Energy (signal processing) ; Physics MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Supercapacitor Materials and Fabrication
Authors: Yidan Zheng | Tianze Liu | Jingyou Tai | Ning Ma
Source: Molecules (review, 2025-06-18)
Field: Materials Science — Materials Chemistry

Recent Advances in Carbon-Based Catalysts for Heterogeneous Asymmetric Catalysis Carbon materials, including graphene, carbon nanotubes, and fullerenes, serve as effective supports for catalysts and play a pivotal role in heterogeneous asymmetric catalysis due to their unique properties and ability to create defined environments for catalytic reactions. Recent research has focused on developing novel carbon-based catalysts that combine the advantages of heterogeneous catalysis with enhanced stability and reusability. This review highlights the synthesis and catalytic applications of graphene, carbon nanotubes, and fullerenes as heterogeneous support materials in asymmetric organocatalytic and organometallic reactions, covering their mechanisms, efficiency, and potential for advancing sustainable chemical processes. Catalysis ; Carbon nanotube ; Nanotechnology ; Fullerene ; Reusability ; Carbon fibers ; Graphene ; Heterogeneous catalysis ; Materials science ; Chemistry ; Organic chemistry ; Computer science ; Composite number Covalent Organic Framework Applications ; Nanomaterials for catalytic reactions ; Mesoporous Materials and Catalysis
Authors: Changde Ma | Pratteek Das | Xiaoyu Shi | Feng Zhou | Zhong‐Shuai Wu
Source: Chemical Science (review, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Current status and future perspectives of low-temperature electrolytes for supercapacitors Supercapacitors are critical for high-power applications due to their fast charge-discharge capabilities and long lifespans. However, achieving high performance at ultra-low temperatures remains a significant challenge, limiting their use in extreme environments. The electrolyte responsible for ion transport is the key factor governing the low-temperature performance of supercapacitors. In this perspective, we focus on the recent advances in low-temperature electrolytes for supercapacitors. We first introduce the critical physical parameters for evaluating low-temperature electrolytes. Then, we emphasize the key design strategies for low-temperature electrolytes, followed by a detailed discussion of their anti-freezing mechanisms, encompassing aqueous, organic, ionic liquid, and gel-based electrolytes. Additionally, particular emphasis is placed on the theoretical simulation and advanced characterization techniques, given their capability to elucidate the microscopic structure of the electrolyte and provide comprehensive insights into its energy storage mechanism. Finally, we have provided an outlook on the current challenges and future development directions of low-temperature electrolytes, which is expected to offer promising strategies for reliable, high-performance supercapacitors in ultra-low temperature applications. Supercapacitor ; Electrolyte ; Current (fluid) ; Perspective (graphical) ; Key (lock) ; Characterization (materials science) ; Nanotechnology ; Computer science ; Materials science ; Systems engineering ; Biochemical engineering ; Engineering physics ; Engineering ; Electrical engineering ; Chemistry ; Electrochemistry ; Electrode ; Artificial intelligence ; Physical chemistry Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Advanced Battery Materials and Technologies
Authors: Safa H Monir | Osama Abuzalat | Ibrahim E T El-Sayed | Hamed M. Abdel‐Bary | Maha A. Tony
Source: Scientific Reports (article, 2025-08-12)
Field: Chemistry — Inorganic Chemistry

Thermal shock treatment of recyclable bimetallic MOF derived carbon composite for organics oxidation by advanced Fenton-Like technique This study offers a bimetallic MIL-88 B Metal-Organic Frameworks (MOF) derived carbon composite Co/Ferrite MOF namely Co/Fe@C that is synthesized through a solvothermal route followed by a simple thermal shock treatment and used as a Fenton-like source. The synthesized Co/Fe@C morphology and elemental analysis are characterized via X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) and vibrating sample magnetometer (VSM). Carbon based MOF demonstrated fascinating features as a Fenton source conducted in dark oxidation route. The material exposed a superior efficiency in treating various organic pollutants including basic (Malachite Green, MG) and acidic (Oil Orange SS, OOSS) dyes as a textile simulated effluent and tetracycline (TC) as a model pharmaceutical wastewater. The experimental results exhibited the optimum reaction conditions of 400 mg/L for H<sub>2</sub>O<sub>2</sub> for all contaminants oxidation and ranged from 10 to 40 mg/L for Co/Fe@C catalyst at varied optimal pH values. Under optimal conditions, the Co/Fe@C catalyst achieved removal efficiencies reached to 100% for MG, 83% for OOSS, and 72% for TC within 30 min. Furthermore, for potential full-scale application, the kinetic investigation is highlighted and the reaction is following the second kinetic order. Also, to assure catalyst sustainability, the Co/Fe@C substance is reused after recovery for seven oxidation cycles with a reasonable decline in its activity that reached to 57, 45 and 42% removals for MG, OOSS and TC, respectively. Furthermore, the mechanism exploration indicated the active species involved oxidation process primarily affecting TC and OOSS oxidation is holes (h<sup>+</sup>) and MG is OH radicals. Bimetallic strip ; Composite number ; Thermal shock ; Chemical engineering ; Carbon fibers ; Shock (circulatory) ; Thermal treatment ; Thermal oxidation ; Chemistry ; Materials science ; Organic chemistry ; Medicine ; Composite material ; Catalysis ; Internal medicine ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Thermal and Kinetic Analysis
Authors: Aniket Chitre | Daria Semochkina | David C. Woods | Alexei A. Lapkin
Source: Computers & Chemical Engineering (article, 2025-01-18)
Field: Materials Science — Materials Chemistry

Machine learning-guided space-filling designs for high throughput liquid formulation development • Developed a weighted space-filling experimental design approach. • Demonstrated the new DoE in creating a large dataset of liquid formulations. • Developed a phase stability classifier to provide weighting for DoE. Liquid formulation design involves using a relatively limited experimental budget to search a high-dimensional space, owing to the combinatorial selection of ingredients and their concentrations from a larger subset of available ingredients. This work investigates alternative shampoo formulations. A space-filling design is desired for screening relatively unexplored formulation chemistries. One of the few computationally efficient solutions for this mixed nominal-continuous design of experiments problem is the adoption of maximum projection designs with quantitative and qualitative factors (MaxProQQ). However, such purely space-filling designs can select experiments in infeasible regions of the design space. Here, stable products are considered feasible. We develop and apply weighted-space filling designs, where predictive phase stability classifiers are trained for difficult-to-formulate (predominantly unstable) sub-systems, to guide these experiments to regions of feasibility, whilst simultaneously optimising for chemical diversity by building on MaxProQQ. This approach is extendable to other mixed-variable design problems, particularly those with sequential design objectives. Throughput ; Space (punctuation) ; Computer science ; Development (topology) ; Artificial intelligence ; Process engineering ; Engineering ; Mathematics ; Operating system Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Process Optimization and Integration
Authors: Amr Mansi | Sherief A. Al Kiey | Sherif Zein El Abedin | M. Bassyouni | Ahmed R. Wassel | Ahmed M. Yousif | Yasser Elhenawy | Alexandre Barras | Sabine Szunerits | Rabah Boukherroub | Mohamed S. Hasanin
Source: Transactions of Tianjin University (article, 2025-10-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent Advances in Sustainable and Green Chemistry for Polyurethane-Based High-Performance Supercapacitor Electrodes Abstract The increasing demand for sustainable energy storage solutions has intensified the focus on high-performance supercapacitors, known for their rapid charge/discharge capabilities, high power density, and long cycle life. Polyurethane (PU)-based materials have gained attention as promising candidates for supercapacitor electrodes, due to their flexibility, mechanical robustness, and tunable properties. It is important to clarify that PU typically does not contribute directly to charge storage via adsorption or pseudocapacitive mechanisms. Instead, PU serves as a flexible scaffold, a binder, or a precursor for the preparation of heteroatom-doped carbon materials upon thermal treatment. Thus, the term 'PU-based' in this review refers to PU-supported or PU-derived composites, where PU enables structural or functional integration of active electrode Materials. Polyurethane composites incorporating graphene oxide have demonstrated a specific capacitance of 758.8 mF/cm 2 with capacitance retention of 92% over 5,000 cycles. Other PU-based electrodes have achieved energy densities up to 22.5 Wh/kg and power densities of 1472.7 W/kg, reflecting their potential for high-performance energy storage applications. Despite these advantages, challenges, such as low intrinsic conductivity and the environmental impact of traditional synthesis methods, limit their widespread adoption. Conventional PU composites often incorporate conductive additives like carbon materials, metal oxides, or conductive polymers to enhance their electrochemical performance, yet these approaches may involve non-renewable or toxic components. Developing green energy materials that adhere to sustainability and green chemistry principles is crucial to address these limitations. This includes using renewable resources, environmentally friendly processing techniques, and recyclable materials to reduce the ecological footprint and meet the growing need for sustainable energy storage technologies. This review highlights current trends in developing eco-friendly supercapacitor materials, addressing key challenges such as limited conductivity and complex processing. It uniquely integrates green chemistry principles with advances in polyurethane composites, emphasizing sustainable feedstocks, heteroatom doping, and functional nanomaterials. By combining these aspects, this review provides a comprehensive perspective not fully covered in existing literature. Supercapacitor ; Graphene ; Energy storage ; Renewable energy ; Environmentally friendly ; Capacitance ; Carbon footprint ; Polyurethane ; Carbon fibers Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Conducting polymers and applications
Authors: Sijun Huang | Tianqi Zhang | Shiyin Hong | Dechen Zhang | Yanping Zhao | Miao Li | Ying Wang | Xuewu Liu | Yi Guo | Li Xu
Source: Nano Research (article, 2025-01-08)
Field: Materials Science — Materials Chemistry

Engineered built-in electric fields in Cu <sup>0</sup>/CuO <sub> <i>x</i> </sub> nanozyme-decorated silicon nanodisks for the degradation of phenols and dyes Laccase has demonstrated potential for the treatment of hazardous pollutants; however, its widespread application is hindered by stability issues. In contrast, nanozymes, with their remarkable stability, present a promising alternative. In this study, we developed silicon-anchored Cu<sup>0</sup>/CuO<em><sub>x</sub></em> nanozymes exhibiting laccase-like activity for the oxidation removal of phenols and dyes. The valence states of the copper species, which emerged through spontaneous oxidation, played a crucial role in creating a heterogeneous interface, exerting a significant impact on the catalytic efficacy of the copper nanozymes. By employing density functional theory (DFT) calculations, we revealed that the existence of a local built-in electric field (BIEF) among the heterogeneous components facilitated the cyclic consumption of Cu<sup>0</sup> and the migration of lattice oxygen. This dynamic interplay modulated the levels of Cu<sup>+</sup> and oxygen vacancies (OVs), thereby allowing for sustained catalytic performance within a defined period. Our findings underscore the importance of valence engineering in the rational design of nanozymes and highlight their potential as efficient catalysts for advancing environmental sustainability. Silicon ; Degradation (telecommunications) ; Materials science ; Phenols ; Nanotechnology ; Chemical engineering ; Chemistry ; Optoelectronics ; Organic chemistry ; Computer science Advanced Nanomaterials in Catalysis ; Electrocatalysts for Energy Conversion ; Advanced Memory and Neural Computing
Authors: Yiyang Xu | Yinglin Wang | Zhaohui Lei | Chen Wang | Xiangli Meng | Pengfei Cheng
Source: Micromachines (review, 2025-07-17)
Field: Materials Science — Materials Chemistry

MXene-Based Gas Sensors for NH3 Detection: Recent Developments and Applications Ammonia, as a toxic and corrosive gas, is widely present in industrial emissions, agricultural activities, and disease biomarkers. Detecting ammonia is of vital importance to environmental safety and human health. Sensors based on MXene have become an effective means for detecting ammonia gas due to their unique hierarchical structure, adjustable surface chemical properties, and excellent electrical conductivity. This study reviews the latest progress in the use of MXene and its composites for the low-temperature detection of ammonia gas. The strategies for designing MXene composites, including heterojunction engineering, surface functionalization, and active sites, are introduced, and their roles in improving sensing performance are clarified. These methods have significantly improved the ability to detect ammonia, offering high selectivity, rapid responses, and ultra-low detection limits within the low-temperature range. Successful applications in fields such as industrial safety, food quality monitoring, medical diagnosis, and agricultural management have demonstrated the multi-functionality of this technology in complex scenarios. The challenges related to the material's oxidation resistance, humidity interference, and cross-sensitivity are also discussed. This study aims to briefly describe the reasonable design based on MXene sensors, aiming to achieve real-time and energy-saving environmental and health monitoring networks in the future. Ammonia gas ; Ammonia ; Nanotechnology ; Process engineering ; Computer science ; Environmental science ; Materials science ; Engineering ; Chemistry MXene and MAX Phase Materials ; Gas Sensing Nanomaterials and Sensors ; Advanced biosensing and bioanalysis techniques
Authors: Ailitabaier Abudureyimu | Ayiguzhali Tuluhong | Qingpu Chang | Feng Wang | B. L.
Source: Materials (review, 2025-10-22)
Field: Materials Science — Materials Chemistry

A Comprehensive Review of Green Hydrogen Technology: Electrolysis Methods, Topologies and Control Strategies, Applications As a pivotal clean energy carrier for achieving carbon neutrality, green hydrogen technology has attracted growing global attention. This review systematically examines four mainstream water electrolysis technologies-alkaline electrolysis, proton exchange membrane electrolysis, solid oxide electrolysis, and anion exchange membrane electrolysis-analyzing their fundamental principles, material challenges, and development trends. It further classifies and compares power electronic converter topologies, including non-isolated and isolated DC-DC converters as well as AC-DC converter architectures, and summarizes advanced control strategies such as dynamic power regulation and fault-tolerant operation aimed at enhancing system efficiency and stability. A holistic "electrolyzer-power converter-control strategy" integration framework is proposed to provide tailored technological solutions for diverse application scenarios. Finally, the challenges and future prospects of green hydrogen across the energy, transportation, and industrial sectors are discussed, underscoring its potential to accelerate the global transition toward a sustainable, low-carbon energy system. Converters ; Power to gas ; Polymer electrolyte membrane electrolysis ; Electrolysis ; Hydrogen ; Network topology ; Electrolysis of water ; Hydrogen economy ; Oxide Hydrogen Storage and Materials ; Hybrid Renewable Energy Systems ; Ammonia Synthesis and Nitrogen Reduction