Nanomaterials

13 pages, 12588 KB

Open AccessArticle

Surface Hydrogenation Strategy for Constructing a 2D B₁₂X₂H₈ (X = N, P, As) Family with Embedded Aromatic Icosahedral B₁₂ Superatoms

by Lu-Yao Tian, Hao-Ning Li, Jun-Hui Yuan, Pan Zhang and Jiafu Wang

Nanomaterials 2026, 16(18), 1127; https://doi.org/10.3390/nano16181127 - 9 Sep 2026

Abstract

Surface hydrogenation is a key strategy for material modification. The icosahedral B₁₂ superatom, featuring a closed-shell electronic structure and aromatic stability, serves as an ideal building block for 2D functional materials. Using first-principles calculations, we design highly stable 2D boron-based h-B [...] Read more.

Surface hydrogenation is a key strategy for material modification. The icosahedral B₁₂ superatom, featuring a closed-shell electronic structure and aromatic stability, serves as an ideal building block for 2D functional materials. Using first-principles calculations, we design highly stable 2D boron-based h-B₁₂X₂H₈ (X = N, P, As) by hydrogenating the parent h-B₁₂X₂ phases proposed in our previous work. Hydrogenation widens the bandgap from ~1 eV to 5.19–6.00 eV, strengthens bonding, and improves mechanical properties (higher Young’s modulus and lower Poisson’s ratio). Modified deformation-potential theory reveals carrier-type-selective mobilities, with the electron mobility of h-B₁₂P₂H₈ reaching 1755 cm²V⁻¹s⁻¹. Notably, when h-B₁₂X₂H₈ forms a heterojunction with its parent phase, it acts as a protective layer that preserves the parent’s electronic structure, facilitating applications in harsh environments. This work provides a rational pathway for designing B₁₂-based 2D materials via surface passivation and offers a model for constructing self-passivating protective layers on 2D materials. Full article

(This article belongs to the Special Issue 2D Structured Materials: Synthesis, Properties and Applications (3rd Edition))

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17 pages, 931 KB

Open AccessArticle

Effect of Nitrogen-Containing Regulators on Graphene Quantum Dot/ZIF-8 Composites for Photocatalytic CO₂ Reduction

by Lei Wang, Xinyuan Gao, Shang Li, Shuangyan Li and Weitao Li

Nanomaterials 2026, 16(18), 1126; https://doi.org/10.3390/nano16181126 - 8 Sep 2026

Abstract

Graphene quantum dots (GQDs) with distinct optical responses were prepared from pyrene using urea, melamine, and 2,4-pyridinedicarboxylic acid as nitrogen-containing regulators and were subsequently combined with ZIF-8 for visible-light-driven CO₂ reduction. FT-IR, Raman, XRD, optical spectroscopy, representative high-magnification transmission electron microscopy, and [...] Read more.

Graphene quantum dots (GQDs) with distinct optical responses were prepared from pyrene using urea, melamine, and 2,4-pyridinedicarboxylic acid as nitrogen-containing regulators and were subsequently combined with ZIF-8 for visible-light-driven CO₂ reduction. FT-IR, Raman, XRD, optical spectroscopy, representative high-magnification transmission electron microscopy, and X-ray photoelectron spectroscopy (XPS) showed regulator-dependent structural, compositional, and optical differences. XPS detected surface nitrogen in all three GQD samples, with the highest N content in y-GQDs, while the relative N 1s component distributions differed across the series. At a nominal 4 wt% GQD addition, r-GQDs/ZIF-8 gave the highest observed mean CO and CH₄ formation rates of 23.51 ± 0.48 and 4.08 ± 0.15 μmol·g⁻¹·h⁻¹, respectively, corresponding to approximately 2.9- and 4.5-fold increases over pristine ZIF-8. This sample also showed the lowest fitted charge-transfer resistance, the highest mean photocurrent density, and the fastest qualitative time-resolved photoluminescence decay among the compared composites. Across three independent five-cycle tests, 83.78 ± 0.54% of the initial combined CO and CH₄ rate was retained. These results establish correlations among regulator identity, surface composition, optical relaxation, photoelectrochemical response, and catalytic activity, but do not determine a unique charge-transfer pathway or exclude contributions from surface basicity, CO₂ adsorption, and nominal-loading differences. Full article

(This article belongs to the Section Energy and Catalysis)

38 pages, 78558 KB

Open AccessReview

Detection and Capture of Volatile Fluorinated Compounds Using Porous Materials

by Jiejing Hou, Xinlei Tao, Ce Zhang, Zidan Zhang, Huihui Kong, Qingmin Ji, Hengdao Quan and Harald Fuchs

Nanomaterials 2026, 16(17), 1125; https://doi.org/10.3390/nano16171125 - 7 Sep 2026

Abstract

Volatile fluorinated compounds (VFCs) are indispensable to modern industry, yet their potent greenhouse effects pose critical environmental challenges. Functional porous materials, ranging from zeolites and semiconductor oxides to metal–organic frameworks (MOFs), covalent organic frameworks (COFs), and other advanced porous materials, have emerged as [...] Read more.

Volatile fluorinated compounds (VFCs) are indispensable to modern industry, yet their potent greenhouse effects pose critical environmental challenges. Functional porous materials, ranging from zeolites and semiconductor oxides to metal–organic frameworks (MOFs), covalent organic frameworks (COFs), and other advanced porous materials, have emerged as versatile platforms for VFC sensing and capture, leveraging their structural tunability, ultrahigh surface areas, and designable pore chemistry. This review provides a systematic summary of recent advances in porous materials for VFC management. For sensing, we examine transduction mechanisms (chemiresistive, optical, and gravimetric approaches) with emphasis on structure–signal relationships. For capture, we evaluate adsorptive performance across VFC subclasses, highlighting design principles that govern selectivity and capacity. Based on recent achievements, we assess persistent gaps between laboratory-scale achievements and practical deployment. Possible pathways toward integrated sense-and-capture systems are also explored. By bridging fundamental materials science, this review highlights cross-cutting design strategies that may accelerate the development of next-generation VFC management platforms. Full article

(This article belongs to the Special Issue Advanced Nanomaterials and Nanotechnology for Pollutant Detection and Removal)

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23 pages, 5281 KB

Open AccessPerspective

A Perspective on Multiscale Electrodiffusion and Model Selection for Ion Transport in Energy-Storage Nanomaterials

by Hamid Mofidi, Wuyue Yang and Mingji Zhang

Nanomaterials 2026, 16(17), 1124; https://doi.org/10.3390/nano16171124 - 7 Sep 2026

Abstract

Ion transport in energy storage nanomaterials is described with models that resolve different scales and different physical effects. Device models such as the Doyle–Fuller–Newman framework are well suited to cell voltage, concentration polarization, and electrode utilization, but they usually average local charge separation [...] Read more.

Ion transport in energy storage nanomaterials is described with models that resolve different scales and different physical effects. Device models such as the Doyle–Fuller–Newman framework are well suited to cell voltage, concentration polarization, and electrode utilization, but they usually average local charge separation into effective transport and interface laws. Charge-resolved Poisson–Nernst–Planck, modified Poisson–Nernst–Planck, and Poisson–Fermi descriptions can instead resolve electric potential, ion partitioning, finite ion size, and space charge inside narrow pores and interphases. Molecular simulation gives solvation, adsorption, and interfacial structure, while pore-network and homogenized models connect local transport to electrode geometry. This Perspective compares these model families, states their limits, and explains how quantities should be passed from molecular and pore scales to electrode and device models. Representative examples are discussed for liquid-electrolyte batteries, all-solid-state batteries, and nanoporous supercapacitors. Two concise calculations are retained as model audits. The first tests whether a first-order finite-size approximation remains reliable when its leading correction is small by cancellation. The second tests when local electroneutrality becomes inaccurate in a charged pore and how steric crowding changes screening. These calculations are not new device predictions. The main contribution is a practical procedure that links model choice, cross-scale handoff, and validation with measurable quantities such as voltage, concentration profiles, impedance, interfacial resistance, capacitance, and charging time. Full article

(This article belongs to the Special Issue Multiscale Simulation and Modeling Techniques for Next-Generation Nanomaterials in Energy Storage)

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21 pages, 14246 KB

Open AccessArticle

Critical and Glassy Dualism in Glass-Forming E7 Nematogenic Mixture and Fullerene C₆₀ Nanocolloids

by Aleksandra Drozd-Rzoska, Mateusz Kotowski, Jakub Kalabiński, Tushar Rajvanshi and Sylwester J. Rzoska

Nanomaterials 2026, 16(17), 1123; https://doi.org/10.3390/nano16171123 - 7 Sep 2026

Abstract

The report presents the results of broadband dielectric spectroscopy (BDS) studies in bulk nanocolloids: E7 liquid crystalline (LC) mixture plus C₆₀ fullerene nanoparticles. BDS spectra for

260

temperatures from the isotropic liquid (I) phase at ~360 K to the nematic (N) phase [...] Read more.

The report presents the results of broadband dielectric spectroscopy (BDS) studies in bulk nanocolloids: E7 liquid crystalline (LC) mixture plus C₆₀ fullerene nanoparticles. BDS spectra for

260

temperatures from the isotropic liquid (I) phase at ~360 K to the nematic (N) phase at the glass temperature

T_{g} ~ 220 K

were tested. The analysis focused on pretransitional critical-like features and complex glassy dynamics, highlighting their interplay and dominance. This is associated with pretransitional fluctuations, which impact the nematic phase even 90 K below the I-N transition. On approaching

T_{g}

, strong previtreous changes detected via dielectric constant and the loss curve maximum appear, starting at

T_{g} + 30 K

. The critical-like behavior on

T \to T_{g}

was observed also for the parameter describing the distribution of relaxation times. For the three main relaxation times in the long-range nematic phase, the optimal portrayal via the new Critical and Activated equation is evidenced. The derivative-based test of coupling/decoupling between translational and orientational processes reveals strong decoupling with the fractional exponent

F < 1

below the I-N transition and related to

F < 1

above

T_{g}

. Notable is the permanent ‘parallel’ orientation of LC molecules by C₆₀ fullerene nanoparticles, which can be significant for applications. Full article

(This article belongs to the Special Issue The Impact of Nanoparticles on Phase Transitions of Liquid Crystals)

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20 pages, 8595 KB

Open AccessArticle

Luminescent Nanocomposites of Liquid Crystals and Carbon Dots in Microfluidic Channels: Effects of Walls, Dynamics, and Bioactive Additive

by Artem Bezrukov, Aliya Galeeva, Aleksandr Krupin and Yuriy Galyametdinov

Nanomaterials 2026, 16(17), 1122; https://doi.org/10.3390/nano16171122 - 7 Sep 2026

Abstract

Microfluidic confinement offers new opportunities for tailoring properties of nanomaterials by applying specific dynamic and wall effects. A vibrant approach is integration of microfluidic channels with lyotropic liquid crystals and luminescent additives, which offer a variety of tunable supramolecular organizations for applications in [...] Read more.

Microfluidic confinement offers new opportunities for tailoring properties of nanomaterials by applying specific dynamic and wall effects. A vibrant approach is integration of microfluidic channels with lyotropic liquid crystals and luminescent additives, which offer a variety of tunable supramolecular organizations for applications in nanotechnology and biomedicine. This paper focuses on analyzing nanoscale and microscale properties of the nanomaterials represented by tetraethylene glycol and decaethylene glycol monododecyl ethers with integrated carbon dots. Orienting impact of microchannel surfaces was found to be responsible for additional microscale ordering of the intrinsic lamellar and hexagonal structures of these composites after the phase transition from the isotropic liquid to the liquid crystalline state. Controlled and varied shear stress resulted in additional planar orientation of the composites and provided them with anisotropic luminescence properties, which were not demonstrated by macroscopic samples. Incorporation of a bioactive compound into the liquid crystalline matrix allowed obtaining the specific and detectable anisotropic luminescence response of the nanomaterials. The datasets comprising hundreds of polarized microscopy images were successfully used for training the neural network and accurate recognition of the liquid crystal type in the composites. The results will contribute to developing AI-compatible microfluidic chips, which simulate the biological capillary environment and allow for tuning properties of luminescent nanomaterials for drug delivery and biomedical applications. Full article

(This article belongs to the Special Issue Multifunctional Luminescent Nanomaterials: Synthesis, Characterization and Applications)

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17 pages, 3999 KB

Open AccessArticle

Integrating Fluorescence from Self-Trapped Excitons and Phosphorescence in Zero-Dimensional Metal Halides for Time-Resolved Dynamic Information Encryption

by Xiang Zhu, Lei Li, Fei Wen, Yu Wang, Yangbin Xu, Zhixuan Wang, Cuixia You, Qingchun Chen, Lingling Xu, Jiansong Ye, Jiaxing Song, Nengchao Qiu, Yanxing Feng, Tingwei He, Hai Jia and Quanlin Chen

Nanomaterials 2026, 16(17), 1121; https://doi.org/10.3390/nano16171121 - 7 Sep 2026

Abstract

Multimodal luminescent materials integrating spectral and temporal information are highly desirable for dynamic optical information encoding. However, constructing such systems often requires complicated molecular design or multiple synthetic steps. Herein, we report a simple Sb-introduction strategy to regulate excited-state dynamics in the zero-dimensional [...] Read more.

Multimodal luminescent materials integrating spectral and temporal information are highly desirable for dynamic optical information encoding. However, constructing such systems often requires complicated molecular design or multiple synthetic steps. Herein, we report a simple Sb-introduction strategy to regulate excited-state dynamics in the zero-dimensional (0D) organic–inorganic hybrid metal halide (AP)₂ZnCl₄ (AP = 2-aminoacetophenone). The pristine host intrinsically combines prompt AP⁺ fluorescence with long-lived AP⁺-derived room-temperature phosphorescence (RTP). Upon Sb introduction, an additional broad Sb-related localized/self-trapped excitonic emission appears and the excited-state relaxation kinetics are redistributed while the native RTP pathway remains operative. These composition-dependent responses enable a proof-of-concept sequential time-gated optical encoding/decoding scheme with “WWW”, “SUV”, and “RTP” outputs. The results highlight dopant-mediated excited-state regulation in 0D hybrid metal halides for dynamic optical information encoding. Full article

(This article belongs to the Special Issue Photovoltaic Devices Based on Nanomaterials)

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31 pages, 13611 KB

Open AccessArticle

Selective Chlorination of Toluene and Halobenzenes Using Modified BaSO₄-Supported Catalysts: A Sustainable Approach with (NH₄)₂S₂O₈ and H₂O₂ as Oxidants

by Sidra Chaudhary, Sumaira Jamal, Mohsin Alam, Yuan Gao, Muhammad Faisal Altaf, Junsheng Bai and Yang Sun

Nanomaterials 2026, 16(17), 1120; https://doi.org/10.3390/nano16171120 - 6 Sep 2026

Abstract

In this study, nine barium sulfate (BaSO₄)-supported heterogeneous catalysts (C1–C9) were synthesized via three modification strategies: stearic acid coating (C1–C3), physical doping (C4, C6, and C8), and sol-gel processing with calcination (C5, C7, and C9). Their comprehensive characterization revealed that sol-gel-synthesized [...] Read more.

In this study, nine barium sulfate (BaSO₄)-supported heterogeneous catalysts (C1–C9) were synthesized via three modification strategies: stearic acid coating (C1–C3), physical doping (C4, C6, and C8), and sol-gel processing with calcination (C5, C7, and C9). Their comprehensive characterization revealed that sol-gel-synthesized C7 exhibited the most favorable surface properties, including well-dispersed Al–O–Si species, tetrahedrally coordinated Al³⁺, and abundant Brønsted acid sites. Their catalytic performance was evaluated in the chlorination of toluene, fluorobenzene, bromobenzene, and iodobenzene, using hydrochloric acid (HCl) as the chlorine source and either hydrogen peroxide (H₂O₂) or ammonium persulfate ((NH₄)₂S₂O₈) as the oxidant. C7 achieved complete toluene conversion (100%) at 60 °C under optimized conditions and exhibited high conversions of fluorobenzene (55%), bromobenzene (76%), and iodobenzene (46%). Notably, ammonium persulfate enabled a unique in situ halogen exchange pathway, yielding chlorobenzene as the exclusive product from bromobenzene and iodobenzene. XRD and XPS analysis of crystalline by-products confirmed the formation of NH₄HSO₄, BaSO₄, and NH₄Cl, providing evidence for the persulfate-driven radical mechanism. Iodine detection in upper-layer crystals confirmed iodobenzene products, while the absence of chlorine signals in the upper layer confirmed separation of organic and inorganic species. The detection of barium sulfate peaks confirms that the catalyst support retains its structural integrity under harsh reaction conditions, demonstrating chemical stability and reusability potential. Collectively, these findings establish a clear structure–activity relationship and demonstrate that the synergy between modified BaSO₄ surfaces and persulfate-generated radicals provides an efficient, sustainable platform for aromatic chlorination, offering significant potential for pharmaceutical, agrochemical, and fine chemical manufacturing applications. Full article

(This article belongs to the Section Energy and Catalysis)

18 pages, 4650 KB

Open AccessArticle

F-Doped In₂O₃ Nanofibers for Enhanced BTX Detection with a Portable Wireless Sensing Module

by Jiaqi Yang, Lisen Yuan, Yi Chen, Xiaobin Zhou, Xiaojuan Yan, Gang Zhao and Weiguang Ma

Nanomaterials 2026, 16(17), 1119; https://doi.org/10.3390/nano16171119 - 6 Sep 2026

Abstract

Benzene, toluene, and xylene (BTX) gases pose severe threats to public health on account of their toxic, carcinogenic properties and environmental recalcitrance. In addition, their similar molecular structures and chemical inertness complicate the practical quantification of BTX, severely hindering their high-selectivity detection. In [...] Read more.

Benzene, toluene, and xylene (BTX) gases pose severe threats to public health on account of their toxic, carcinogenic properties and environmental recalcitrance. In addition, their similar molecular structures and chemical inertness complicate the practical quantification of BTX, severely hindering their high-selectivity detection. In this work, a chemiresistive sensor based on F-doped In₂O₃ nanofibers was constructed. This strategy successfully enhanced the sensor response values toward benzene, toluene, and xylene by approximately 4.3, 4.5, and 4.2 times, respectively. Meanwhile, the limits of detection were reduced from 1, 0.5, and 0.25 ppm to 0.5, 0.25 and 0.05 ppm, respectively. The theoretical lower detection limits for benzene, toluene, and xylene are as low as 9.9 ppb, 5.7 ppb, and 2.5 ppb, respectively. Machine learning methods were further employed for the identification of BTX gases and their binary mixtures. By capturing the distinctive and reproducible patterns of feature vectors from various analytes, the optimal algorithm established decision boundaries and achieved a classification accuracy of 92.1%. Meanwhile, the reasons for the improved gas sensing performance are discussed. Furthermore, a portable wireless gas sensing module based on F-doped In₂O₃ nanofibers was developed, which can be applied for detecting BTX. Full article

(This article belongs to the Section Nanoelectronics, Nanosensors and Devices)

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39 pages, 7411 KB

Open AccessReview

Phyto-Mediated Versus Conventional Nanomaterials for Environmental Remediation: Surface Chemistry, Removal Mechanisms, Performance, and Sustainability

by Farhah Elfadel Omer, Aliaa Alrashidi, Akeem Omolaja Akinfenwa, Amani M. Alansi, Mohammed S. Alotaibi, Adebayo Adekunle Rasheed, Bader Alharbi, Fatehia S. Alhakami, Idris K. Popoola and Talal F. Qahtan

Nanomaterials 2026, 16(17), 1118; https://doi.org/10.3390/nano16171118 - 4 Sep 2026

Abstract

Nanomaterials have emerged as key platforms for environmental remediation owing to their tunable surface chemistry, high specific surface area, and multifunctional physicochemical properties. This review provides a critical comparison between conventional nanomaterials (CNMs) and phyto-mediated nanomaterials (PMNs), with particular emphasis on material design, [...] Read more.

Nanomaterials have emerged as key platforms for environmental remediation owing to their tunable surface chemistry, high specific surface area, and multifunctional physicochemical properties. This review provides a critical comparison between conventional nanomaterials (CNMs) and phyto-mediated nanomaterials (PMNs), with particular emphasis on material design, surface chemistry, pollutant removal mechanisms, environmental performance, and sustainability. CNMs, including metal and metal oxide nanoparticles, carbon-based nanomaterials, and hybrid nanocomposites, offer excellent adsorption, photocatalytic, redox, and antimicrobial performance but remain constrained by concerns regarding toxicity, environmental persistence, and energy-intensive synthesis. PMNs provide a greener alternative by integrating plant-derived surface chemistry with nanomaterial functionality, potentially reducing reliance on hazardous synthesis reagents while modifying interfacial interactions relevant to environmental remediation. The review critically discusses the mechanistic roles of adsorption, surface complexation, photocatalytic degradation, electron-transfer processes, and reactive oxygen species (ROS) generation in pollutant removal. Recent advances in water purification, soil and groundwater remediation, carbon sequestration, and climate-related environmental applications are comprehensively summarized. Finally, current challenges associated with reproducibility, scalability, environmental safety, life-cycle assessment, and regulatory considerations are critically analyzed, together with future perspectives toward the rational design of sustainable nanomaterials for next-generation environmental remediation technologies. Full article

(This article belongs to the Special Issue Green and Sustainable Nanomaterials for Emerging Pollutant Remediation)

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37 pages, 29397 KB

Open AccessReview

Self-Powered Triboelectric Biofluid Sensors for Early Disease Screening and Diagnosis: A Review

by Yanqin Zhang, Huawen Wen, Jianbing Huang and Qiliang Zhu

Nanomaterials 2026, 16(17), 1117; https://doi.org/10.3390/nano16171117 - 4 Sep 2026

Abstract

With the growing demand for continuous health assessment and early disease screening, biofluids have attracted increasing attention because they provide molecular information that cannot be obtained from conventional physical signals alone. However, practical biofluid analysis remains constrained by limited sample volumes, unstable wet [...] Read more.

With the growing demand for continuous health assessment and early disease screening, biofluids have attracted increasing attention because they provide molecular information that cannot be obtained from conventional physical signals alone. However, practical biofluid analysis remains constrained by limited sample volumes, unstable wet interfaces, complex fluid transport, and dependence on external power sources. Triboelectric nanogenerators and triboelectric nanosensors offer a promising solution by combining mechanical energy harvesting with direct signal transduction. This review provides a critical overview of the theoretical basis of triboelectric biofluid sensing, including working modes, figures of merit, charge-transfer mechanisms, and the differences between solid–solid and solid–liquid electrification. Material selection, interfacial functionalization, fluid collection, wearable configurations, and multimodal integration are further discussed. Recent applications involving sweat, tears, saliva, urine, interstitial fluid, blood, and wound exudate are summarized to clarify how triboelectric devices function as either power sources or active sensing interfaces. Particular attention is given to their potential in early screening, risk assessment, and auxiliary diagnosis. Current limitations associated with biofouling, charge dissipation, individual variability, biosafety, durability, calibration, and clinical validation are also evaluated. Finally, future directions are proposed to improve analytical reliability and accelerate the translation of self-powered biofluid sensors from laboratory prototypes to clinically meaningful healthcare platforms. Full article

(This article belongs to the Special Issue Current Research in Mechanical Properties and Tribology of Nanomaterials)

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19 pages, 1400 KB

Open AccessArticle

Gold Nanoparticle-Mediated DNA Damage Under FLASH Electron-Beam Irradiation: A Monte Carlo Study

by Chloe Doen Kim and James C. L. Chow

Nanomaterials 2026, 16(17), 1116; https://doi.org/10.3390/nano16171116 - 4 Sep 2026

Abstract

FLASH radiotherapy, which delivers radiation at ultrahigh dose rates (UHDRs) exceeding 40 Gy/s, has attracted considerable attention because of its potential to spare normal tissues while maintaining tumour control. Gold nanoparticles (GNPs) are promising radiosensitizers that enhance radiation-induced biological effects through increased production [...] Read more.

FLASH radiotherapy, which delivers radiation at ultrahigh dose rates (UHDRs) exceeding 40 Gy/s, has attracted considerable attention because of its potential to spare normal tissues while maintaining tumour control. Gold nanoparticles (GNPs) are promising radiosensitizers that enhance radiation-induced biological effects through increased production of reactive oxygen species (ROS) and subsequent DNA damage. However, the influence of GNPs on DNA damage under FLASH irradiation remains poorly understood. In this study, Geant4-DNA Monte Carlo simulations were performed to investigate the effects of GNP size and dose rate on DNA damage during UHDR electron-beam irradiation. DNA damage was quantified through both direct and indirect mechanisms based on energy deposition in DNA backbone segments and interactions between radiation-induced radical species and DNA, and was evaluated relative to equivalent water nanoparticle (WNP) controls. The results demonstrated a dose rate-dependent reduction in both relative single-strand breaks (RSSBs) and relative double-strand breaks (RDSBs) arising from direct and indirect DNA damage mechanisms. For the 10 keV monoenergetic model condition, the 10 nm GNP produced the greatest radiosensitization among the particle sizes investigated, with the matched GNP/WNP analysis showing a maximum 5-fold enhancement in direct SSB yields. In contrast, substantially weaker GNP-specific enhancement and no comparable size-dependent effect were observed at 1 MeV. These findings demonstrate that GNP-mediated radiosensitization depends on both nanoparticle size and electron energy under the irradiation conditions investigated. The greater enhancement observed for the 10 nm GNP at 10 keV should therefore not be interpreted as identifying a universally optimal GNP size for FLASH radiotherapy. Full article

(This article belongs to the Special Issue Applications of Nanomaterials in Biomedical Imaging and Cancer Therapy: 4th Edition)

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22 pages, 39506 KB

Open AccessReview

Water-Based Perovskite Solar Cells: Precursor Chemistry, Reaction–Diffusion Kinetics, Processing Strategies, and Device Performance

by Zhongjun Dai, Mengnan Li, Yulin Zhang, Xiaofeng He, Jiasheng Chen, Yu Jiao and Qunliang Song

Nanomaterials 2026, 16(17), 1115; https://doi.org/10.3390/nano16171115 - 4 Sep 2026

Abstract

Water-based perovskite solar cells (W-PSCs) provide a promising route toward reducing the use of hazardous organic solvents during perovskite fabrication. However, their development remains limited by sluggish precursor conversion, incomplete phase transformation, and poor control over film morphology. This review summarizes recent progress [...] Read more.

Water-based perovskite solar cells (W-PSCs) provide a promising route toward reducing the use of hazardous organic solvents during perovskite fabrication. However, their development remains limited by sluggish precursor conversion, incomplete phase transformation, and poor control over film morphology. This review summarizes recent progress in W-PSCs, with particular emphasis on aqueous lead precursors and the subsequent conversion from precursor films to perovskite absorbers. The selection criteria for aqueous lead sources are first discussed in terms of water solubility, anion-Pb²⁺ interactions, precursor-solution stability, and ion-exchange behavior. Thermodynamic and kinetic considerations, including nucleation, crystal growth, reaction–diffusion coupling, and ion transport, are then discussed to provide a framework for understanding the conversion of aqueous precursor films into perovskites. Strategies for improving film formation are further classified into precursor-film and substrate engineering, conversion-process regulation, and ionic/compositional engineering. Particular attention is given to the role of precursor-film microstructure in regulating organic ammonium salt transport and conversion completeness. The photovoltaic performance of regular and inverted W-PSCs is subsequently compared, and the possible origins of their performance differences are discussed from the perspectives of precursor-film formation, perovskite conversion, film morphology, and interfacial properties. Finally, future opportunities in substrate-interface regulation, scalable aqueous processing, precursor and additive design, and life-cycle assessment are outlined. This review provides a reaction-diffusion-based perspective for understanding and improving water-based perovskite photovoltaics. Full article

(This article belongs to the Special Issue Advanced Nanomaterials for Perovskite Solar Cells and Optoelectronic Devices)

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24 pages, 1627 KB

Open AccessArticle

A Physics-Informed Machine Learning Framework for Modeling Biaxial Strain-Induced Band Gap Variation in Zig-Zag Single-Walled Carbon Nanotubes

by Necati Vardar

Nanomaterials 2026, 16(17), 1114; https://doi.org/10.3390/nano16171114 - 3 Sep 2026

Abstract

Understanding the strain-dependent electronic response of carbon nanotubes is important for nanoelectronic applications in which mechanical deformation serves as a functional tuning mechanism. This study developed a physics-informed machine learning framework for modeling biaxial strain-induced band gap variation in zig-zag single-walled carbon nanotubes [...] Read more.

Understanding the strain-dependent electronic response of carbon nanotubes is important for nanoelectronic applications in which mechanical deformation serves as a functional tuning mechanism. This study developed a physics-informed machine learning framework for modeling biaxial strain-induced band gap variation in zig-zag single-walled carbon nanotubes (SWCNTs). A traceable density functional theory/Perdew–Burke–Ernzerhof (DFT/PBE) dataset was reconstructed from published band gap curves and comprised 144 records representing 16 zig-zag SWCNT chirality groups, from (8,0) to (23,0), at nine nominal biaxial strain levels between −10% and +10%. The absolute band gap was reformulated as a baseline-relative target (

Δ E_{g}

) representing the strain-induced variation from the chirality-specific unstrained state; this formulation assumes that the corresponding unstrained band gap is available for each chirality before prediction. Physics-informed descriptors included the chirality-derived diameter, chirality family, nominal strain, squared strain, and family–strain interaction terms. Predefined linear and nonlinear regression models were evaluated using repeated shuffled five-fold cross-validation, while transfer to unseen chirality groups was assessed using leave-one-chirality-out (LOCO) validation. Sensitivity analyses were additionally conducted to evaluate baseline uncertainty and digitization confidence. Within the represented chirality–strain domain, the best nonlinear configuration—support vector regression using diameter, squared strain, and family–strain descriptors—achieved a mean cross-validated coefficient of determination (

R^{2}

) of 0.880 for

Δ E_{g}

, compared with 0.786 for absolute

E_{g}

. Ridge regression using family–strain descriptors achieved a mean

R^{2}

of 0.527, demonstrating that the baseline-relative target also contained an interpretable linear response component. The benefit of target reformulation was most evident in explained variance and fold-level stability, whereas differences in absolute error metrics were comparatively small. The best

Δ E_{g}

model achieved a mean LOCO

R^{2}

of 0.636, although substantial fold-level variation indicated that transfer remained strongly dependent on the held-out chirality group. The findings remained stable under chirality-specific

E_{g 0}

perturbations of up to ±0.020 eV and after exclusion of three low-confidence digitized records. Overall, baseline-relative target formulation and chirality-aware descriptor design improved the modeling of strain-induced electronic responses under limited-data conditions. The results should nevertheless be interpreted as a proof of concept within the represented zig-zag SWCNT domain rather than as a universal predictor across the complete CNT design space. Full article

(This article belongs to the Section Theory and Simulation of Nanostructures)

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14 pages, 2489 KB

Open AccessArticle

Synchronous In Situ Harmonic Calibration of Vibration Amplitude and Gap in 2D Nanomechanical Resonators

by Yuchen Zhang, Ying Liu, Tianyi Zhang, Zhiyu Guo, Yang Xiao, Jun Zhou, Feng Hu, Fang Luo and Shiqiao Qin

Nanomaterials 2026, 16(17), 1113; https://doi.org/10.3390/nano16171113 - 3 Sep 2026

Abstract

Reliable calibration that converts transduced signals into physical displacement is essential for quantitative studies and applications of nanoelectromechanical resonators, including nonlinear dynamics, precision sensing, and optomechanical and electromechanical coupling. Existing harmonic calibration based on nonlinear optical transduction is generally restricted to systems with [...] Read more.

Reliable calibration that converts transduced signals into physical displacement is essential for quantitative studies and applications of nanoelectromechanical resonators, including nonlinear dynamics, precision sensing, and optomechanical and electromechanical coupling. Existing harmonic calibration based on nonlinear optical transduction is generally restricted to systems with optically thin suspended layers and highly reflective substrates. Their weak higher-order harmonic signals are also susceptible to noise, drift, and inconsistencies between separately acquired frequency sweeps. Here, we generalize this approach to hexagonal boron nitride/graphene (h-BN/Gra) heterostructure resonators without local metallic reflectors. Multilayer thin-film interference calculations show that a branch-local phase correction enables the effective two-beam inversion to recover vibration amplitude and local static gap within acceptable error bounds. Experimentally, we use multi-demodulator lock-in detection to acquire the ω, 2ω, and 3ω optical responses simultaneously at each frequency point. Ratios among these harmonics then yield frequency-resolved vibration amplitude and local static gap. Repeated frequency sweeps at a constant gate bias simultaneously track the resonance characteristics and local static gap, revealing a time-dependent relaxation of approximately 24 nm in the local device configuration. This work provides a practical in situ route for simultaneously resolving resonance characteristics and configurational evolution across a broader range of nanomechanical resonator architectures. Full article

(This article belongs to the Section Physical Chemistry at Nanoscale)

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24 pages, 13702 KB

Open AccessArticle

Sustainable Antimicrobial Textiles Functionalized with Gold and Silver Nanoparticles Biosynthesized Using Undaria pinnatifida Extracts

by João Abreu, Mário Fernandes, Ana Rita Bragança, Bruna Silva, Diana Rocha, Raúl Machado, Artur Ribeiro, Maria Carmen Rodríguez-Argüelles, Carla Silva and Andreia C. Gomes

Nanomaterials 2026, 16(17), 1112; https://doi.org/10.3390/nano16171112 - 3 Sep 2026

Abstract

Functionalizing textiles with nanoparticles is a promising strategy for developing sustainable materials with antimicrobial activity and reduced potential for resistance. This study aimed to develop antimicrobial cotton and polyester (PE) textiles functionalized with gold and silver nanoparticles (Au@UP and Ag@UP) biosynthesized using Undaria [...] Read more.

Functionalizing textiles with nanoparticles is a promising strategy for developing sustainable materials with antimicrobial activity and reduced potential for resistance. This study aimed to develop antimicrobial cotton and polyester (PE) textiles functionalized with gold and silver nanoparticles (Au@UP and Ag@UP) biosynthesized using Undaria pinnatifida (UP) aqueous extracts. The nanoparticle-functionalized textiles were characterized by Ultraviolet–visible spectroscopy (UV-vis), scanning electron microscopy (SEM), and fourier transform infrared spectroscopy (FTIR), and nanoparticle attachment–detachment and stability were evaluated on both substrates. Antioxidant activity was assessed by the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, while antimicrobial activity against Staphylococcus aureus and Pseudomonas aeruginosa and cytocompatibility using the L-929 cell line were determined. UV–vis spectroscopy revealed residual release, while SEM, UV–vis, and FTIR confirmed nanoparticle binding. Cotton exhibited higher nanoparticle affinity and stability (KS = 0.5007 for Au@UP and 0.4817 for Ag@UP), attributed to its abundance of reactive hydroxyl groups. Although antioxidant activity decreased after nanoparticle binding (<5%), functionalized cotton gauzes retained antimicrobial activity. Au@UP and Ag@UP textiles were non-cytotoxic (>80% cell viability) and inhibited the growth of S. aureus (~15% and 90%, respectively) and P. aeruginosa (~90% for both). These findings support the potential of UP-mediated nanoparticle-functionalized textiles, particularly Ag@UP-containing materials, as sustainable antimicrobial surfaces. Full article

(This article belongs to the Special Issue Gold and Silver Nanoparticles: Synthesis, Functionalization, and Biomedical Applications)

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10 pages, 12315 KB

Open AccessArticle

Preparation and Characterization of Fenofibric Acid-Loaded Electrospun Fibrous Mats

by Enikő Bitay, Gergő Tóth and Zoltán-István Szabó

Nanomaterials 2026, 16(17), 1111; https://doi.org/10.3390/nano16171111 - 3 Sep 2026

Abstract

Fenofibric acid-loaded microfibrous mats were produced by electrospinning using polyvinylpyrrolidone (PVP) as a carrier polymer. Fenofibric acid, obtained through alkaline hydrolysis of fenofibrate, was incorporated into PVP solutions and processed under optimized electrospinning conditions to obtain uniform, defect-free fibers. The morphology and average [...] Read more.

Fenofibric acid-loaded microfibrous mats were produced by electrospinning using polyvinylpyrrolidone (PVP) as a carrier polymer. Fenofibric acid, obtained through alkaline hydrolysis of fenofibrate, was incorporated into PVP solutions and processed under optimized electrospinning conditions to obtain uniform, defect-free fibers. The morphology and average fiber diameter were examined by scanning electron microscopy, revealing homogeneous, continuous fibers. Thermal analysis revealed the disappearance of the characteristic melting endotherm of fenofibric acid following electrospinning, indicating a substantial alteration in its thermal behavior within the polymer matrix. In vitro dissolution tests in artificial saliva showed a markedly enhanced release rate of fenofibric acid from the fibrous mats compared with the pure crystalline form, indicating a significant improvement in apparent solubility. These findings highlight the potential of PVP-based electrospun fiber formulation as an efficient carrier for the active metabolite of fenofibrate. Full article

(This article belongs to the Special Issue Nanofiber and Nanomaterial Composites: Energy, Healthcare and Beyond)

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12 pages, 2674 KB

Open AccessArticle

Ultra-Wideband Optically Transparent Absorbing Metasurface Based on Multilayer ITO Films

by Guang Lu, Mingyang Liu and Bing Wang

Nanomaterials 2026, 16(17), 1110; https://doi.org/10.3390/nano16171110 - 3 Sep 2026

Abstract

Traditional microwave-absorbing metasurfaces struggle to integrate optical transparency with ultra-wideband and high-efficiency microwave absorption, severely limiting their deployment in optoelectronics-compatible electromagnetic protection. To address this constraint, we propose a transparent ultra-wideband microwave-absorbing metasurface based on multilayered indium tin oxide (ITO) films. The unit [...] Read more.

Traditional microwave-absorbing metasurfaces struggle to integrate optical transparency with ultra-wideband and high-efficiency microwave absorption, severely limiting their deployment in optoelectronics-compatible electromagnetic protection. To address this constraint, we propose a transparent ultra-wideband microwave-absorbing metasurface based on multilayered indium tin oxide (ITO) films. The unit cell is constructed using a multilayered PMMA dielectric configuration, where ITO conductive layers are patterned as a top square patch, middle square rings, and a continuous bottom film. Full-wave parametric optimization, combined with multilayer resonant coupling, effectively extends the absorption bandwidth. We elucidate the underlying broadband absorption mechanism by analyzing electromagnetic field and surface current distributions at typical resonant frequencies. Furthermore, we systematically investigate the impacts of ITO sheet resistance, incident angle, and polarization state on absorption performance. A 6 × 6 array prototype is fabricated and experimentally characterized in a microwave anechoic chamber. The measured results demonstrate that the proposed metasurface achieves an absorptance exceeding 90% across 9.2–40.2 GHz, delivering a fractional bandwidth of 125.5%. The experimental responses are in good agreement with numerical simulations, and the fabricated prototype retains good optical transparency. Benefiting from the synergistic integration of ultra-wideband microwave absorption and superior optical transmissivity, this multilayer stacked metasurface offers a promising strategy for advanced optoelectronics-compatible stealth and transparent electromagnetic shielding applications. Full article

(This article belongs to the Special Issue Enhanced Electromagnetic Wave Absorption: Nanomaterials and Nanotechnology)

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12 pages, 2978 KB

Open AccessArticle

Scalable Fabrication of Highly Ordered Au/Ag Composite Nanoshell Array for Ultrasensitive SERS Detection of Trace Pesticides

by Jiabin Chen, Ye Dong, Shuyu Jiang, Tao Zhang, Zheng Liu, Kaiwen Hu and Zhiming Chen

Nanomaterials 2026, 16(17), 1109; https://doi.org/10.3390/nano16171109 - 3 Sep 2026

Abstract

Surface-enhanced Raman scattering is highly promising for trace molecular detection but requires substrates with both ultrahigh sensitivity and macroscopic uniformity. Current bimetallic nanostructures struggle to achieve large-area structural reproducibility and high-density “hot spots” due to the lack of precise spatial control over nanoparticle [...] Read more.

Surface-enhanced Raman scattering is highly promising for trace molecular detection but requires substrates with both ultrahigh sensitivity and macroscopic uniformity. Current bimetallic nanostructures struggle to achieve large-area structural reproducibility and high-density “hot spots” due to the lack of precise spatial control over nanoparticle arrangement and the random distribution of nanogaps, which severely limits their quantitative reliability in realistic applications. Here, we developed a simple and scalable method to fabricate a highly ordered Au/Ag composite nanoshell array via combining the gas–liquid interface self-assembly and ion sputtering. This prepared substrate is featured by abundant nanoscale openings, crevices, and interfacial junctions. The Au/Ag composite nanoshell array achieves an ultra-low limit of 10⁻¹¹ M for the standard probe Rhodamine 6G. The highly ordered array also ensures advanced large-area signal reproducibility with a relative standard deviation of 6.1%. This work successfully balances the large-area uniformity and high sensitivity in SERS detection. It also provides a robust and reliable plasmonic platform for practical food safety analysis and environmental monitoring. Full article

(This article belongs to the Special Issue Advanced Nanomaterials: Synthesis, Self-Assembly and Applications)

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