ABSTRACT Electrochemical and photoelectrochemical hydrogen production are often pursued separately, even though both ultimately require electron consumption at the catalyst–electrolyte interface to form H 2 . Integrating light harvesting, charge transport, and catalysis within a single photoelectrode can impose intrinsic trade‐offs. Here, we propose a charge‐decoupled electrode architecture that enables dual‐mode electrochemical and photoelectrochemical hydrogen production by separating charge generation from charge consumption within one platform. Vertically aligned n‐type GaN nanorods grown on silicon provide an electrically continuous pathway for charge transport and, under illumination, a source of photocarriers, while a continuous two‐dimensional TiS 2 layer functions as an efficient interfacial charge transfer layer and the hydrogen‐evolution‐active interface. In electrochemical operation, externally supplied electrons are delivered through n‐GaN and consumed at the TiS 2 surface to produce hydrogen at the working electrode. Under photoelectrochemical operation, photocarriers generated in n‐GaN are separated at the TiS 2 /n‐GaN junction, and the electrode operates in photocathodic mode to drive proton reduction and hydrogen production at the illuminated working‐electrode surface. These results demonstrate charge‐decoupled functional switching and highlight its potential as an electrode‐architecture principle for carbon‐neutral hydrogen production across electrochemical and photoelectrochemical regimes. image
ABSTRACT Biophotovoltaic (BPV) systems use living photosynthetic organisms to generate electricity from sunlight, offering a clean and renewable energy source. Despite notable advances, further development toward practical applications remains limited by low current and power densities and insufficient system reusability. Here we report a hierarchical reduced graphene oxide (rGO) lattice electrode that was 3D printed and coated with polypyrrole (PPy) to serve as the BPV anode. The lattice geometry offers tunable porosity and high surface area to maximize BPV performance. PPy was electropolymerized onto the rGO framework via cyclic voltammetry, with the number of cycles optimized to achieve adequate PPy coverage, favorable cyanobacterial adhesion, and maximal photocurrent generation. The structural characteristics of the 3D printed lattice, particularly the number of voids, significantly influenced the photoresponse by modulating light penetration and mediator diffusion pathways. Two different BPV designs were tested using biofilm‐coated electrodes and a suspension‐based setup. The suspension‐based BPV delivered a peak power density of 40 μW cm −2 at 235 μA cm −2 . In a mediator‐free operation, we measured up to 300 μA cm −2 at a cyanobacterial loading of 25 μg mL −1 chlorophyll a, and the reusability of the 3D PPy/rGO electrode was also demonstrated for seven consecutive days. image
ABSTRACT Scalable and lower‐severity synthesis of Na 3 V 2 (PO 4 ) 3 /C (NVP/C) cathodes for sodium‐ion batteries (SIBs) remains limited by trial‐and‐error optimization of hydrothermal processing conditions. This practice is known to cause variations in crystal quality and poor reproducibility in electrochemical behavior. Microwave‐assisted hydrothermal synthesis has emerged as a faster and more efficient route, but the combined effects of synthesis temperature (T) and holding time (t) on phase evolution and electrochemical performance of NVP remain insufficiently understood from a statistical perspective. In this study, central composite design coupled with response surface methodology (CCD‐RSM) is used to systematically examine the T–t parameter space for NVP/C synthesis. The statistically identified optimum at 140°C for 20 min produces a mixed granular‐porous morphology encased in a semi‐graphitic carbon shell (~4.22 nm), achieved without dopants or conductive additives, at substantially lower thermal severity (140°C/20 min vs. 180°C–200°C/12–24 h for conventional hydrothermal routes). The optimized NVP (M‐140‐20✶) delivers 105.65 mAh g −1 at 0.1C, retains 99.7% capacity after 100cycles at 1C, and sustains 85.4% retention after 3500 cycles at 3C, competitive with chemically modified NVP systems requiring significantly higher synthesis energy. The NVP‖HC full cell achieves approximately 311 Wh kg −1 at 0.5C, while retaining a high energy efficiency of 93.7% at 1C. Kinetic analysis reveals mixed Na + storage, with b ‐values of 0.62–0.67 and increasing surface contribution at higher scan rates, while post‐mortem XRD, SEM, and HR‐TEM show degradation through micro‐cracking, carbon‐shell thinning, and separator‐fiber intrusion. These findings clarify synthesis‐structure‐performance‐degradation relationships in polyanionic cathodes. image
ABSTRACT Sustainable lignin valorization through solar energy conversion remains challenging due to the inherent resistance of lignin in photoelectrochemical (PEC) oxidations. Herein, an integrated PEC system combining metal phthalocyanine catalysts with organic semiconductors is presented to achieve direct Kraft lignin oxidation with an unprecedented production rate and stability. An optimized Ni‐Co phthalocyanine/organic‐semiconductor photoanode achieves a photocurrent density of 13.4 mA cm−2 and maintains stable operation for 28 h, representing the highest performance reported for direct lignin oxidation. This system efficiently suppresses the oxygen evolution reaction, directing 80.6% of the total current toward lignin oxidation. Reaction environment modulation allows precise control of the reaction pathway, with a vanillic acid production ratio reaching 76.1% and a production rate of 7.43 μmol cm−2 h−1 under 1 M NaOH. Density functional theory calculations clarify that lignin preferentially adsorbs parallel to the phthalocyanine surface, forming π–π interactions that facilitate β‐O‐4 bond cleavage, the key step for generating valuable aromatic monomers. Furthermore, the central metal tuning modulates the energy barrier with cobalt‐centered phthalocyanines exhibiting the lowest barrier and highest activity. These insights provide a molecular‐level design principle to overcome the resistance of lignin and establish a cornerstone for sustainable lignocellulosic biomass upcycling.
ABSTRACT Scalable and lower‐severity synthesis of Na3V2(PO4)3/C (NVP/C) cathodes for sodium‐ion batteries (SIBs) remains limited by trial‐and‐error optimization of hydrothermal processing conditions. This practice is known to cause variations in crystal quality and poor reproducibility in electrochemical behavior. Microwave‐assisted hydrothermal synthesis has emerged as a faster and more efficient route, but the combined effects of synthesis temperature (T) and holding time (t) on phase evolution and electrochemical performance of NVP remain insufficiently understood from a statistical perspective. In this study, central composite design coupled with response surface methodology (CCD‐RSM) is used to systematically examine the T–t parameter space for NVP/C synthesis. The statistically identified optimum at 140°C for 20 min produces a mixed granular‐porous morphology encased in a semi‐graphitic carbon shell (~4.22 nm), achieved without dopants or conductive additives, at substantially lower thermal severity (140°C/20 min vs. 180°C–200°C/12–24 h for conventional hydrothermal routes). The optimized NVP (M‐140‐20✶) delivers 105.65 mAh g−1 at 0.1C, retains 99.7% capacity after 100cycles at 1C, and sustains 85.4% retention after 3500 cycles at 3C, competitive with chemically modified NVP systems requiring significantly higher synthesis energy. The NVP‖HC full cell achieves approximately 311 Wh kg−1 at 0.5C, while retaining a high energy efficiency of 93.7% at 1C. Kinetic analysis reveals mixed Na+ storage, with b‐values of 0.62–0.67 and increasing surface contribution at higher scan rates, while post‐mortem XRD, SEM, and HR‐TEM show degradation through micro‐cracking, carbon‐shell thinning, and separator‐fiber intrusion. These findings clarify synthesis‐structure‐performance‐degradation relationships in polyanionic cathodes.
ABSTRACT MXene‐based heterogeneous structures have attracted considerable attention due to their outstanding multifunctional performance in smart electronic and thermal management. In this work, 2D/0D/2D Ti3C2Tx MXene/Ag@g‐C3N4 composite films were fabricated by introducing 0D/2D Ag@g‐C3N4 nanosheets into the Ti3C2Tx matrix, forming a layered architecture featuring Ag‐mediated interfacial networks. The Ag nanoparticles function as conductive bridges between g‐C3N4 and Ti3C2Tx nanosheets, generating a heterogeneous structure enriched with abundant interfacial regions and strong interlayer interactions. The resulting heterogeneous films exhibit exceptional electromagnetic interference (EMI) shielding effectiveness of 51.4 dB and high absolute shielding effectiveness of 25 855 dB cm2 g−1. This superior EMI shielding performance stems from pronounced electromagnetic wave reflection, combined with enhanced absorption arising from local dipolar polarization, porous microstructures, and extensive interface interactions. In addition, the Ti3C2Tx MXene/Ag@g‐C3N4 films demonstrate robust thermal‐management capability, delivering significant infrared stealth performance (radiative temperature reduction of 137.3°C at 200°C) alongside rapid electrothermal heating to 211°C at 3.0 V. Overall, this Ag‐assisted heterogeneous assembly strategy provides a versatile pathway for engineering multifunctional MXene‐based composites that integrate EMI shielding with advanced thermal management functionalities.
ABSTRACT The rising atmospheric CO2 concentration has intensified interest in technologies that couple carbon utilization with the production of high‐value functional materials. Direct conversion of captured CO2 into carbon architectures offers a distinct route in which emissions are transformed into electrochemically active solids rather than molecular fuels or commodity chemicals. Unlike conventional carbons, CO2‐derived carbons are generated through thermochemical, electrochemical, plasma‐assisted, and hybrid conversion pathways that reconstruct carbon frameworks from fully oxidized molecular feedstocks. These synthesis routes enable hierarchical porosity, tunable graphitic order, high defect densities, and heteroatom‐coordinated active sites, providing opportunities to engineer electronic structure and interfacial reactivity across multiple length scales. This review examines how synthesis conditions govern structural evolution and how these features dictate performance in electrocatalytic and electrochemical energy‐storage systems. Emphasis is placed on defect‐mediated active sites, heteroatom coordination, interfacial charge redistribution, and metal–carbon interactions that control oxygen reduction, oxygen evolution, and hydrogen evolution reactions. The roles of CO2‐derived carbons in lithium‐ion, sodium‐ion, lithium–sulfur, and related battery chemistries, as well as electrochemical capacitors, are evaluated through their influence on ion transport, charge‐transfer kinetics, and storage mechanisms. Recent advances reveal that CO2 conversion can encode functionality directly during synthesis, eliminating many post‐synthetic modification steps. However, significant barriers remain, including scalable manufacturing, deterministic defect control, long‐term stability, and rigorous environmental and economic assessment. Future progress will depend on integrating operando characterization, theory‐guided design, machine learning, and life‐cycle analysis to establish predictive design rules and accelerate deployment in sustainable energy technologies.
ABSTRACT Rational electrode structure design is a key to bridging electrochemical energy storage and capacitive deionization devices. However, electrode materials are often limited by sluggish ion transport, low utilization of electroactive sites, and unstable integration between redox‐active phases and conductive frameworks. Here, we developed a proton‐coupled self‐templating hollowing‐growth strategy to construct hierarchical core‐shell arrays of hollow carbon nanotubes (CNTs) and conformal MnO2 nanosheets (CMT). Proton‐induced etching of zinc oxide (ZnO) nanowires was coupled with concurrent deposition of redox‐active MnO2, yielding a hierarchical hollow architecture with conductive carbon backbones, hollow ion‐transport conduits, and accessible MnO2 nanosheets. This integrated structure accelerates charge transfer, facilitates electrolyte penetration, and improves electroactive site utilization. As a result, the optimized CMT‐40 electrode delivers an areal capacitance of 0.52 F cm−2 at 2 mV s−1 and retains 0.25 F cm−2 at 100 mV s−1. When assembled into a flexible asymmetric supercapacitor, the device delivered a maximum volumetric energy density of 2.85 mWh cm−3 at 25.5 mW cm−3 and retained ~1.8 mWh cm−3 at a high power density of 453.8 mW cm−3. In capacitive deionization (CDI), the same architecture enables fast ion electrosorption and a salt adsorption capacity of 132.2 mg g−1 at 1000 ppm sodium chloride (NaCl) solution, together with good cycling stability. This work provides an effective framework for designing multifunctional hollow electrodes for integrated high‐rate energy storage and electrochemical desalination.
ABSTRACT One of the major challenges for the commercial application of high performance organic solar cells (OSCs) is scaling them from small‐area devices to large‐area submodules (LA‐SMs). Here, we report the design and synthesis of two new π‐conjugated spacer‐functionalized donor polymers (SF‐DPs), D‐A‐D‐π‐siloxane (SCl‐SiO) and D‐A‐alkyl‐A (SCl‐6C), which incorporate thiophene‐π‐siloxane and hexyl alkyl spacer units into a benzodithiophene (BDT) and benzodithiophenedione (BDD) backbone. A promising technique for enhancing the charge transport, morphology, and stability of OSC devices is the use of spacers, which are designed polymer donors with specific side‐chain functionalities. By applying this strategy to LA‐SMs (55 cm2) processed via non‐halogenated solvent (o‐xylene) and bar coating, a record PCE of about 15.5% was attained with remarkable operational stability (> 88%) of original PCE during prolonged light soaking and environmental stress tests. Additionally, small‐area devices exhibited outstanding power conversion efficiencies (PCEs) exceeding 18% (PM6: SCl‐SiO (HMw): Y6‐BO) with reduced bimolecular recombination, enhanced charge mobilities, and well defined nanostructures confirmed by AFM, TEM, and GIWAX analyzes. These results indicate that side chain engineering with thiophene‐π siloxane and hexyl alkyl incorporated spacer units, in conjunction with controlled molecular weight, provides a scalable pathway toward production of stable and highly efficient OSC modules.
ABSTRACT Antibiotic‐resistant bacteria (ARB) and antibiotic resistance genes (ARGs) persist in wastewater as chemically stable contaminants that evade conventional treatment, driving a global health crisis. Photocatalysis offers a promising route to simultaneously inactivate ARB and degrade ARGs. However, its practical implementation stays hindered by fundamental gaps in understanding how material interfaces control their fate. This review critically analyzes the interfacial battlefield, where surface chemistry, charge dynamics, and nanoconfinement determine the efficiency and mechanism of resistance destruction. We establish a quantitative reaction–diffusion framework that reveals why photocatalytic degradation is governed not by bulk‐phase kinetics but by coupled transport–adsorption–reaction processes at the nanoscale interface. Through Damköhler analysis, we demonstrate that short‐lived reactive oxygen species (ROS, ●OH diffusion < 10 nm) impose transport‐limited regimes where adsorption and nanoconfinement become as critical as charge separation. We evaluate the dual target challenge: ARB as complex, multi‐layered cellular structures requiring membrane disruption, and ARGs as persistent polyelectrolytes demanding complete mineralization. By examining how ROS with distinct lifetimes and diffusion distances operate at material interfaces, we establish that adsorption and nanoconfinement are as critical as charge separation. The review synthesizes recent advances in doping, heterojunction engineering (Z‐scheme, S‐scheme), defect creation, and carbon‐based mediators through the cohesive perspective of interfacial design. Key gaps include unverified eARG mineralization, matrix scavenging, catalyst fouling and regeneration, biofilm and dormant cell formation after sublethal treatment, and insufficient life assessment. A roadmap is proposed toward selective, regenerable, matrix‐tolerant and sustainability guided photocatalytic systems for antibiotic‐resistance control.
ABSTRACT Electrically conducting metal–organic frameworks (MOFs) have been studied over the last two decades and more recently research has gained interest on thermoelectric applications due to their ultra‐low thermal conductivity, which is attributed to their porous structure. Only a handful of intrinsically conducting MOFs and composite MOFs with conducting materials have been reported as thermoelectric materials. Here, thermoelectric MOFs have been comprehensively reviewed to prepare a dataset of 399 materials based on experimental observations. Each data point comprises 12 variables, which can be divided into two broad categories: the MOF's chemical and physical properties (composition, metal node, organic ligand, and crystal structure) and their thermoelectric properties (electrical conductivity, Seebeck coefficient, thermal conductivity, power factor, and figure of merit), which four are target variables of machine learning (ML) models. The dataset has been pre‐processed to streamline it. Six ML models, including Decision Tree, Random Forest, and Gradient Boosting, were trained on the dataset, and the Decision Tree‐based models can predict the electrical conductivity and Seebeck coefficient with high accuracy using the provided information in the dataset on thermoelectric MOF materials. The trained models using the thermoelectric MOFs dataset have been used to explore the thermoelectric parameters of 248 conductive MOFs, which have not yet been explored as thermoelectric materials.
ABSTRACT The rapid increase in the discharge of chemically complex wastewater, driven by urbanization, industrial intensification, and technological expansion, continues to exceed the capacity of conventional wastewater treatment infrastructure. This undermines progress toward Sustainable Development Goal 6, particularly Target 6.3, which aims to reduce untreated wastewater discharge by 50% by 2030. Addressing this challenge necessitates the development of material platforms capable of selective, high‐efficiency, and multi‐contaminant removal under realistic operating conditions. Metal–organic framework (MOF)–MXene hybrid nanocomposites have recently emerged as promising functional materials for advanced wastewater remediation applications. These materials integrate the high surface area and tunable porosity of MOFs with the electrical conductivity, hydrophilicity, and surface functionality of MXenes. The resulting synergistic architectures facilitate enhanced adsorption, catalytic degradation, and redox‐mediated removal of a broad spectrum of pollutants. Although original research articles account for the majority of publications in this field (85%), comprehensive review articles remain limited (8%), indicating a clear knowledge gap in the literature. Therefore, this review critically discusses recent advances in MXene–MOF hybrid nanocomposites for wastewater treatment, with an emphasis on their design and synthesis strategies, pollutant removal mechanisms, and the key challenges that must be addressed for practical implementation of these materials.
ABSTRACT Passive radiative cooling (PRC) offers a sustainable pathway for heat dissipation to outer space without energy input. Polymers have emerged as attractive platforms owing to their lightweight, flexibility, low cost, and structural tunability. This review highlights structure‐oriented strategies for polymer‐based PRC, categorized into fibrous, porous, photonic/meta, and hybrid composite designs. Fibrous networks enhance solar scattering while maintaining breathability; porous systems utilize multi‐scale pores for strong reflectance and broadband infrared emission; photonic/meta‐structures enable spectral selectivity and color control; and hybrids integrate inorganic fillers to achieve robustness and multifunctionality. Representative studies report solar reflectance above 98%, emissivity above 97%, and net cooling powers exceeding 100 W·m−2 under daytime conditions. Beyond performance, advances in eco‐friendly polymers, humidity‐tolerant structures, and scalable fabrication are emphasized. General design principles are summarized within a structure–property–performance framework, stressing broadband solar scattering, efficient IR emission, scalable processing, and interfacial engineering. Remaining challenges include balancing color with cooling efficiency, establishing standardized evaluation protocols, and ensuring durability for practical applications. This review outlines pathways for transitioning polymer‐based PRC from laboratory research to large‐scale deployment in buildings, textiles, and emerging technologies.
Roll-to-roll (R2R) coating is an essential manufacturing strategy for the scalable production of perovskite solar cells (PSCs), offering high throughput and compatibility with flexible substrates. However, the widespread use of toxic solvents such as dimethylformamide (DMF) in the perovskite precursor solution poses significant environmental and health concerns, particularly in large-scale continuous processing. In this study, we propose solutions using a DMF-free, environmentally friendly solvent system using a cosolvent mixture of dimethyl sulfoxide (DMSO) and acetonitrile (ACN) for the fabrication of R2R-processed PSCs via a two-step slot-die coating method. DMSO provides high solubility for lead iodide (PbI2) due to its strong coordination ability and ACN promotes rapid drying thanks to its high volatility, enabling the formation of uniform PbI2 layers. Also, the large volatility difference between ACN and DMSO induced porous PbI2 structures during drying, which facilitated the infiltration of the formamidinium (FAI) solution and enhanced the conversion to high-quality perovskite layers. This led to improved crystallinity and grain growth, ultimately resulting in a power conversion efficiency of 15.84% for flexible small-area devices (0.125 cm(2)). Our results demonstrate a realistic pathway toward toxic-solvent-free, scalable PSC manufacturing and highlight the potential of this green R2R process for future commercialization of perovskite photovoltaics.
ABSTRACT Primary lithium (Li) metal batteries are widely used but are typically discarded after single‐use operation, resulting in a dispersed and underutilized Li‐containing waste stream. Here, we report an integrated electrochemical–chemical pathway for Li recovery from spent primary Li metal batteries. Residual Li is first reactivated through controlled electrochemical rejuvenation, inducing Li redeposition onto the anode‐side casing. The regenerated Li is then selectively extracted and stabilized at the molecular level using a polycyclic aromatic hydrocarbon (PAH)–ether solution, followed by antisolvent‐induced precipitation and moderate thermal conversion to lithium carbonate (Li2CO3). The effects of processing parameters, including drying atmosphere and calcination temperature, on phase evolution and Li content are systematically examined. The recovered Li2CO3 exhibits high crystallinity and Li purity, as further validated by the synthesis and electrochemical evaluation of lithium cobalt oxide (LiCoO2) cathodes. The resulting cathode materials demonstrate crystallographic integrity and electrochemical performance comparable to those derived from commercial Li sources. By coupling electrochemical control, solution‐phase Li leaching, and materials regeneration, this work establishes a process‐oriented framework for valorizing Li from primary battery waste and demonstrates a closed‐loop Li utilization pathway that bridges recovery and functional material regeneration, highlighting an underexplored opportunity for sustainable Li resource recovery.
Anthropogenic carbon emissions pose a formidable challenge to contemporary society, driving severe global climate perturbations. In response, direct air capture (DAC) technologies have emerged as crucial tools for removing CO 2 from the atmosphere and curbing global warming. Non‐thermal separation methods, particularly adsorption‐ and membrane‐based processes utilizing porous materials, have significant advantages over traditional cryogenic and absorption systems. Porous materials, including zeolites, metal–organic frameworks (MOFs), covalent organic frameworks (COFs), hydrogen‐bonded organic frameworks (HOFs), and molecular cages (MCs), are highly promising for advanced CO 2 capture, separation, and conversion due to their ordered and tunable pore architectures. Among these, MCs have emerged as a particularly promising class. MCs are composed of individually designed macromolecules and feature inherent cavities. They are soluble, readily regenerable, and amenable to precise chemical modifications. Over the past several years, MCs have demonstrated substantial potential for CO 2 capture, separation, and conversion, highlighting their value in addressing the global carbon challenge. This review provides a comprehensive examination of advancements in MCs, focusing particularly on their applications in the capture, separation, and conversion of CO 2 . A forward‐looking perspective on the future trajectories in this research field is provided. Concurrently, the current challenges requiring more in‐depth investigation are discussed. image
Substituting the kinetically sluggish oxygen evolution reaction with the thermodynamically favorable urea oxidation reaction (UOR) offers a compelling strategy for simultaneously achieving energy-efficient hydrogen production and wastewater remediation. Nevertheless, the design of UOR catalysts that combine high activity with long-term durability remains a significant challenge. Herein, we report the scalable fabrication of binder-free Ni-W nanostructures directly grown on carbon paper through a controlled potentiostatic electrodeposition approach. Electrochemical kinetic analysis confirms that the electrocrystallization follows a diffusion-controlled pathway characterized by instantaneous nucleation and subsequent three-dimensional growth. The optimized Ni-W electrode delivers outstanding UOR activity, reaching a current density of 100 mA cm-2 at a potential of just 1.77 V versus the reversible hydrogen electrode. In a two-electrode urea electrolyzer configuration, the system achieves 10 mA cm-2 at only 1.54 V, markedly lower than the voltage required for conventional water splitting. Beyond the energy-efficient hydrogen generation, the system demonstrates meaningful environmental remediation capability, degrading 47% of urea over 30 h of continuous electrolysis. By integrating pollutant removal with electrolytic H2 production within a single platform, this work establishes a scalable, binder-free catalyst architecture aligned with circular economy principles and advances the frontier of sustainable energy conversion.image
In rechargeable batteries, the integrity of the active material surface plays an important role in facilitating ion and electron transfer during electrochemical reactions. This study investigates two critical surface failure modes: electrolyte side reactions and irreversible phase transition, particularly evident at high potentials of LiCoO2 (LCO). By employing an artificial coating and solid electrolyte interface (SEI), represented by Al2O3 and lithium bis(oxalate)borate (LiBOB) electrolyte additive, respectively, this work elucidates the underlying mechanism of LCO degradation across various potential regimes. The findings reveal that LCO degradation at lower voltage (4.2-4.6 V vs. Li/Li+) is dominantly attributed to electrolyte side reactions, whereas LCO degradation at higher voltage (>= 4.7 V vs. Li/Li+) accelerates failure due to irreversible structural evolution. An Al2O3 coating, featuring an Al-doped surface, effectively mitigates surface-propagated high-voltage cathode failure by introducing a robust surface matrix. Moreover, artificial coating with a doping layer can suppress phase transitions and boost high-voltage battery performance. Despite the electrolyte additive LiBOB's inability to prevent the high-voltage phase transition in LCO, this study demonstrates that LiBOB-SEI mitigates side reactions at lower voltage but lacks effectiveness against phase transition.image
ABSTRACT Single‐atom catalysts (SACs) are increasingly popular due to several features, including isolated metal atoms, homogeneous functional sites, strong metal‐support interactions, and tunable coordination environments. In 2025, single‐atom catalysis was included in the IUPAC's top 10 emerging technologies. SACs are used in several branches of chemistry, including electrocatalysis, low‐temperature and low‐waste reactions, environmental pollution control, precision catalysis, and the replacement of nanoparticle catalysts. In this study, we have analyzed research trends and developments in SACs for environmental pollution control. Our hybrid approach combined bibliometric and AI‐model‐derived analyses. Bibliometric analysis has been performed focusing on articles, researchers, sources, universities, research institutes, and nations. Science mapping analysis has not been performed due to the inherent limitations of the dataset from the Scopus database. Burst keywords are analyzed to identify research hotspots. The latent topics in our dataset were derived using AI‐based models, and time‐series forecasting was performed on them. A thematic deep dive into the modeled topics has been provided, and the design guidelines for future SAC development have been analyzed. Overall, this study will provide a comprehensive understanding of the current state of research and prospects of single‐atom catalysis for environmental pollution control.
