Metal Nanoparticles Research Articles

Unraveling Exciton-Plasmon Coupling and the PIRET Mechanism in Decorated Silicon Nanowires.

Exciton-plasmon coupling is a fascinating physical phenomenon that has been investigated in various metal semiconductor systems. Intentionally chosen silicon nanowires (SiNWs) systems act as a host material for providing exciton as well as silicon oxide as a thin dielectric. A clear blue-shift in photoluminescence (PL) peak and a significant increase in visible range absorption were observed for metal nanoparticle (MNP) decorated SiNWs (D-SiNWs) which signifies the presence of exciton-plasmon coupling. A further investigation reveals that the possibility of the occurrence of the plasmon-induced resonance energy transfer (PIRET) mechanism is higher. The PL intensity enhancement in Au-decorated SiNWs is higher (∼38 times) in comparison to that in Pt due to the presence of a strong and localized electric field of plasmons near the interface of metal and semiconductors. Moreover, splitting in PL for gold-decorated SiNWs might be due to the presence of dipole-quadrupole coupling along with dipole-dipole coupling, which further increases the strength of the PIRET mechanism.

Developmental Formulation Principles of Food Preservatives by Nanoencapsulation-Fundamentals, Application, and Challenges.

The role of food additives is to preserve food by extending shelf life and limiting harmful microorganism proliferation. They prevent spoilage by enhancing the taste and safety of food by utilizing beneficial microorganisms and their antimicrobial metabolites. Current advances in food preservation and processing utilize green technology principles for green preservative formulation, enhancing nutrition and supplying essential micronutrients safely, while also improving quality, packaging, and food safety. Encapsulation is gaining attention for its potential to protect delicate materials from oxidative degradation and extend their shelf life, thereby ensuring optimal nutrient uptake. Nanoencapsulation of bioactive compounds has significantly improved the food, pharmaceutical, agriculture, and nutraceutical industries by protecting antioxidants, vitamins, minerals, and essential fatty acids by controlling release and ensuring delivery to specific sites in the human body. This emerging area is crucial for future industrial production, improving the sensory properties of foods like color, taste, and texture. Research on encapsulated bioactive compounds like bacteriocins, LAB, natamycin, polylysine, and bacteriophage is crucial for their potential antioxidant and antimicrobial activities in food applications and the food industry. This paper reviews nanomaterials used as food antimicrobial carriers, including nanoemulsions, nanoliposomes, nanoparticles, and nanofibers, to protect natural food antimicrobials from degradation and improve antimicrobial activity. This review discusses nanoencapsulation techniques for biopreservative agents like nisin, poly lysine, and natamycin, focusing on biologically-derived polymeric nanofibers, nanocarriers, nanoliposomes, and polymer-stabilized metallic nanoparticles. Nanomaterials, in general, improve the dispersibility, stability, and availability of bioactive substances, and this study discusses the controlled release of nanoencapsulated biopreservative agents.

Optical Tweezing Terahertz Probing for a Single Metal Nanoparticle.

Recently, extensive research has been reported on the detection of metal nanoparticles using terahertz waves, due to their potential for efficient and nondestructive detection of chemical and biological samples without labeling. Resonant terahertz nanoantennas can be used to detect a small amount of molecules whose vibrational modes are in the terahertz frequency range with high sensitivity. However, the positioning of target molecules is critical to obtaining a reasonable signal because the field distribution is inhomogeneous over the antenna structure. Here, we combine an optical tweezing technique and terahertz spectroscopy based on nanoplasmonics, resulting in extensive controllable tweezing and sensitive detection at the same time. We observed optical tweezing of a gold nanoparticle and detected it with terahertz waves by using a single bowtie nanoantenna. Furthermore, the calculations confirm that molecular fingerprinting is possible by using our technique. This study will be a prestep of biomolecular detection using gold nanoparticles in terahertz spectroscopy.

Biosynthesized BiFe2O4@Ag nanoparticles mediated Scenedesmus obliquus induce apoptosis in AGS gastric cancer cell line

The use of magnetic metal nanoparticles has been considered in cancer treatment studies. In this study, BiFe2O4@Ag nanoparticles were synthesized biologically by Scenedesmus obliquus for the first time and their anticancer mechanism in a gastric cancer cell line was characterized. The physicochemical properties of the nanoparticles were evaluated by fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), scanning electron microscopy (SEM), transmission electron microscopy (TEM), dynamic Light Scattering (DLS), and zeta potential analyses. Cell viability and nuclear damage were investigated by the MTT and Hoechst staining assays, respectively. Flow cytometry analysis was performed to determine the frequency of the necrotic and apoptotic cells as well as cell cycle analysis of the nanoparticles-treated cells. Physicochemical characterization showed that the synthesized particles were spherical, without impurities, in a size range of 38–83 nm, with DLS size and zeta potential of 295.7 nm and -27.7 mV, respectively. BiFe2O4@Ag nanoparticles were considerably more toxic for the gastric cancer cells (AGS cell line) than HEK293 normal cells with IC50 of 67 and 117 µg/ml, respectively. Treatment of AGS cells with the nanoparticles led to a remarkable increase in the percentage of late apoptosis (38.5 folds) and cell necrosis (13.4 folds) and caused cell cycle arrest, mainly at the S phase. Also, nuclear fragmentation and apoptotic bodies were observed in the gastric cancer cells treated with the nanoparticles. This study represents BiFe2O4@Ag as a novel anticancer candidate against gastric cancer that can induce cell apoptosis through DNA damage and inhibition of cell cycle progression.

Inclusion of metal nanoparticles at the core-shell interface of GaAs0.99Bi0.01/ZnO/ITO core-shell nanowire solar cell for photovoltaic performance enhancement

Optoelectronic performance analysis of perpendicularly aligned conformally coated GaAs0.99Bi0.01/ZnO/ITO core–shell nanowire solar cell having a core length of 1 μm, core diameter of 160 nm, shell thickness of 10 nm and period of 280 nm, decorated with Au metal nanoparticles(MNPs) of variable diameters at the core–shell interface is done employing FDTD method. Diameter optimization of MNPs with four different diameters values around core GaAs0.99Bi0.01 nanowire is accomplished in terms of maximum short circuit current density (Jsc), which offered an optimized diameter combination of D1 = D2 = 50 nm and D3 = 34 nm, D4 = 10 nm, resulting in a maximum Jsc of 32.6 mA cm−2. A detailed analysis of the electric field profile including its top view and longitudinal view is presented to investigate the distribution of electric field upon optical illumination at different wavelength range. The overall photo generation rate profile is also presented to focus on the localized surface plasmon resonance effect caused by the metal nanoparticles (MNPs). In order to boost the electrical performance, a thin coating of electron selective ZnO shell is used around p type GaAs0.99Bi0.01core, which aids in charge carrier separation, thereby improving open circuit voltage (Voc) and overall power conversion efficiency (PCE). The electrical characteristics of bare NW and MNP decorated GaAs0.99Bi0.01/ZnO core–shell nanowire solar cell for different MNP diameters have been compared. For the optimized diameter combination, as stated above, a Voc of 941 mV, Jsc of 28 mA cm−2, FF of 84.35% and PCE of 22.19% is obtained for SRV of 105 cm s−1 at the interfaces and SRH recombination lifetime as less as 10 ns. For SRV of 105 cm s−1 at the interfaces and SRH recombination lifetime of 1 μs, this proposed structure can achieve a Voc of 1.06 V, Jsc of 31.5 mA cm−2, PCE of 29.37% and FF of 87.88% for equal diameters of D1 = D2 = D3 = D4 = 50 nm.

Harnessing Metal Nanoparticles: Revolutionizing Cancer Therapy through Targeted Drug Delivery and Tumor Microenvironment Modulation

Harnessing Metal Nanoparticles: Revolutionizing Cancer Therapy through Targeted Drug Delivery and Tumor Microenvironment Modulation

Formation of a Porous Crystalline Mg1‒ x Al2O y Overlayer on Metal Catalysts via Controlled Solid-State Reactions for High-temperature Stable Catalysis.

Catalyst deactivation by sintering and coking is a long-standing issue in metal-catalyzed harsh high-temperature hydrocarbon reactions. Ultrathin oxide coatings of metal nanocatalysts have recently appeared attractive to address this issue, while the porosity of the overlayer is difficult to control to preserve the accessibility of embedded metal nanoparticles, thus often leading to a large decrease in activity. Here, we report that a nanometer-thick alumina coating of MgAl2O4-supported metal catalysts followed by high-temperature reduction can transform a nonporous amorphous alumina overlayer into a porous Mg1‒xAl2Oy crystalline spinel structure with a pore size of 2‒3 nm and weakened acidity. The high porosity stems from the restrained Mg migration from the MgAl2O4 support to the alumina overlayer through solid-state reactions at high temperatures. The resulting Ni/MgAl2O4 and Pt/MgAl2O4 catalysts with a porous crystalline Mg1‒xAl2Oy overlayer achieved remarkably high stability while preserving much higher activity than the corresponding alumina-coated Ni and Pt catalysts on MgO and Al2O3 supports in the reactions of dry reforming of methane and propane dehydrogenation, respectively.

Formation of a Porous Crystalline Mg1‒ x Al2O y Overlayer on Metal Catalysts via Controlled Solid‐State Reactions for High‐temperature Stable Catalysis

Catalyst deactivation by sintering and coking is a long‐standing issue in metal‐catalyzed harsh high‐temperature hydrocarbon reactions. Ultrathin oxide coatings of metal nanocatalysts have recently appeared attractive to address this issue, while the porosity of the overlayer is difficult to control to preserve the accessibility of embedded metal nanoparticles, thus often leading to a large decrease in activity. Here, we report that a nanometer‐thick alumina coating of MgAl2O4‐supported metal catalysts followed by high‐temperature reduction can transform a nonporous amorphous alumina overlayer into a porous Mg1‒xAl2Oy crystalline spinel structure with a pore size of 2‒3 nm and weakened acidity. The high porosity stems from the restrained Mg migration from the MgAl2O4 support to the alumina overlayer through solid‐state reactions at high temperatures. The resulting Ni/MgAl2O4 and Pt/MgAl2O4 catalysts with a porous crystalline Mg1‒xAl2Oy overlayer achieved remarkably high stability while preserving much higher activity than the corresponding alumina‐coated Ni and Pt catalysts on MgO and Al2O3 supports in the reactions of dry reforming of methane and propane dehydrogenation, respectively.

Advancing Simultaneous Extraction and Sequential Single-Particle ICP-MS Analysis for Metallic Nanoparticle Mixtures in Plant Tissues.

Engineered nanoparticles (ENPs) have been increasingly used in agricultural operations, leading to an urgent need for robust methods to analyze co-occurring ENPs in plant tissues. In response, this study advanced the simultaneous extraction of coexisting silver, cerium oxide, and copper oxide ENPs in lettuce shoots and roots using macerozyme R-10 and analyzed them by single-particle inductively coupled plasma-mass spectrometry (ICP-MS). Additionally, the standard stock suspensions of the ENPs were stabilized with citrate, and the long-term stability (up to 5 months) was examined for the first time. The method performance results displayed satisfactory accuracies and precisions and achieved low particle concentration and particle size detection limits. Significantly, the oven drying process was proved not to impact the properties of the ENPs; therefore, oven-dried lettuce tissues were used in this study, which markedly expanded the applicability of this method. This robust methodology provides a timely approach to characterize and quantify multiple coexisting ENPs in plants.

Stepwise structural evolution toward robust carboranealkynyl-protected copper nanocluster catalysts for nitrate electroreduction.

Atomically precise metal nanoclusters (NCs) are emerging as idealized model catalysts for imprecise metal nanoparticles to unveil their structure-activity relationship. However, the directional synthesis of robust metal NCs with accessible catalytic active sites remains a great challenge. In this work, we achieved bulky carboranealkynyl-protected copper NCs, the monomer Cu13·3PF6 and nido-carboranealkynyl bridged dimer Cu26·4PF6, with fair stability as well as accessible open metal sites step by step through external ligand shell modification and metal-core evolution. Both Cu13·3PF6 and Cu26·4PF6 demonstrate remarkable catalytic activity and selectivity in electrocatalytic nitrate (NO3-) reduction to NH3 reaction, with the dimer Cu26·4PF6 displaying superior performance. The mechanism of this catalytic reaction was elucidated through theoretical computations in conjunction with in situ FTIR spectra. This study not only provides strategies for accessing desired copper NC catalysts but also establishes a platform to uncover the structure-activity relationship of copper NCs.

Phenylacetylene-Terminated Poly(Ethylene Glycol) as Ligands for Colloidal Noble Metal Nanoparticles: a New Tool for "Grafting to" Approach.

We report a new design of polymer phenylacetylene (PA) ligands and the ligand exchange methodology for colloidal noble metal nanoparticles (NPs). PA-terminated poly(ethylene glycol) (PEG) can bind to metal NPs through acetylide (M-C≡C-R) that affords a high grafting density. The ligand-metal interaction can be switched between σ bonding and extended π backbonding by changing grafting conditions. The σ bonding of PEG-PA with NPs is strong and it can compete with other capping ligands including thiols, while the π backbonding is much weaker. The σ bonding is also demonstrated to improve the catalytic performance of Pd for ethanol oxidation and prevent surface absorption of the reaction intermediates. Those unique binding characteristics will enrich the toolbox in the control of colloidal surface chemistry and their applications using polymer ligands.

Photo-catalytic dye degradation potentials of Ag-Pd bimetallic nanoparticles synthesized from Vitex negundo.

Plant extracts are a great alternative to synthesizing nanoparticles of different metals and metal oxides. This green synthesis method has opened up numerous possibilities in various scientific domains. In present study, Leaf extract from Vitex negundo is a non-deciduous, long-lasting shrub from the Verbenaceae family is used as capping and reducing agents for the synthesis of silver and palladium nanoparticles. The characterization study UV-vis spectrophotometer analysis showed absorbance value around 320nm which confirming that Ag-Pd nanoparticles have been successfully obtained. Further, SEM is used to investigate the morphology of Ag-Pd NPs, which revealing their spherical and rod-like configuration, aggregation, and the size of the particles are obtained between 50 and 100nm. The successful synthesis of Ag-Pd NPs was further confirmed by the EDAX chart, which displayed the peak of Ag and Pd at bending energies between 0.5 and 1.5keV. According to the quantitative study, Ag and Pd ions found about 5.24 and 13.28%, respectively. In addition, surface studies with TEM confirming that synthesized Ag-Pd NPs are predominates with spheres structure morphologies, with sizes averaging 11.20nm and ranging from 10 to 20nm. Further, Ag-Pd nanoparticles was applied as potential photocatalyst materials to degrade methylene blue dye and found about 85% of the degradation efficiency within 150min of the sunlight exposure thus could be used as catalyst to removal of hazardous organic dye molecules.

Bimetallic Ag125Cu8 Nanocluster, Structure Determination, and Nonlinear Optical Properties.

The atomic precision of the subnanometer nanoclusters has provided sound proof on the structural correlation of metal complexes and larger-sized metal nanoparticles. Herein, we report the synthesis, crystallography, structural characterization, electrochemistry, and optical properties of a 133-atom intermetallic nanocluster protected by 57 thiolates (3-methylbenzenethiol, abbreviated as m-MBTH) and 3 chlorides, with the formula of Ag125Cu8(m-MBT)57Cl3. This is the largest Ag-Cu bimetallic cluster ever reported. Crystallographic analysis revealed that the nanocluster has a three-layer concentric core-shell structure, Ag7@Ag47@Ag71Cu8S57Cl3, and the Ag54 metal kernel adopts a D5h symmetry. The nuclei number is between that of the previously reported large silver cluster [Ag136(SR)64Cl3Ag0.45]- and the large silver-rich cluster Au130-xAgx(SR)55 (x = 98). All these three clusters bear a similar metallic core structure, while the main structural difference lies in the shell motif structures. Electron counting revealed an open electron shell with 73 delocalized electrons, which was verified by the electron paramagnetic resonance analysis. The DPV electrochemical measurement indicates a multielectron state quantization double-layer charging shape and single-electron sequential charging and discharging characteristic of the AgCu alloy cluster. In addition, the open-hole Z-scan test reveals the nonlinear optical absorption (2-3 optical absorption in the NIR-II/III region) of Ag125Cu8 nanoclusters.

Silver Nanoparticles’ Localized Surface Plasmon Resonances Emerged in Polymeric Environments: Theory and Experiment

Considering that the plasmonic properties of metallic nanoparticles (NPs) are strongly influenced by their dielectric environment, comprehension and manipulation of this interplay are crucial for the design and optimization of functional plasmonic systems. In this study, the plasmonic behavior of silver nanoparticles encapsulated in diverse copolymer dielectric environments was investigated, focusing on the analysis of the emerging localized surface plasmon resonances (LSPRs) through both experimental and theoretical approaches. Specifically, two series of nanostructured silver ultrathin films were deposited via magnetron sputtering on heated Corning Glass substrates at 330 °C and 420 °C, respectively, resulting in the formation of self-assembled NPs of various sizes and distributions. Subsequently, three different polymeric layers were spin-coated on top of the silver NPs. Optical and structural characterization were carried out by means of UV–Vis spectroscopy and atomic force microscopy, respectively. Rigorous Coupled Wave Analysis (RCWA) was employed to study the LSPRs theoretically. The polymeric environment consistently induced a red shift as well as various alterations in the LSPR amplitude, suggesting the potential tunability of the system.

Exploring Bimetallic Nanoparticles in Alzheimer's Therapy: A Novel Bio-Assisted Synthesis with Multitarget Potential.

Unlocking the potential of metal nanoparticles (NPs) in biomedical applications represents a leading endeavor in contemporary research. Among these, gold NPs (AuNPs) and silver NPs (AgNPs) have shown promising strides in combatting complex neurodegenerative ailments like Alzheimer's disease. Yet, the unexplored realm of bimetallic Au/Ag-NP harbors immense potential, concealing undiscovered opportunities for enhanced therapeutic effectiveness through the synergistic interaction of metal ions. Nonetheless, the limitations of traditional synthesis methods have restricted the preparation, biocompatibility, and versatility of these NPs, prompting an urgent requirement for innovative approaches. Biobased synthetic methodologies have emerged as a noteworthy solution to address these challenges. Our study ventures into uncharted terrain, harnessing collagen-mimicking peptide nanofibers as a bioactive template for the synthesis of bimetallic NPs. These green NPs exhibit remarkable activity in inhibiting amyloid β (Aβ) protein aggregation with almost 74% inhibition, surpassing the individual impacts of Au and Ag NPs, which show inhibition percentages of 66 and 43, respectively. The bimetallic Au/Ag-NPs not only demonstrate powerful inhibition of Aβ, but they also demonstrate inhibitory activity against esterase (∼50%) and against reactive oxygen species (ROS) (∼75%), metamorphosing into multifaceted therapeutic agents for Alzheimer's disease. Au/Ag-NPs have proven highly beneficial in surpassing cellular barriers, as evidenced by studies on tissue penetration, 3D uptake, and endosomal escape, and these attributes also hold promise for the future treatment modalities. The findings indicate that the intrinsic traits of Au/Ag-NPs provide numerous mechanistic benefits, such as inhibiting Aβ and acetylcholinesterase (AChE), and reducing stress related to ROS, in addition to their advantageous internalization properties. This research represents a notable advancement in the development of multitargeted treatments for neurodegenerative disorders using bimetallic NPs, diverging from the prevalent emphasis on AuNPs in the current literature.

Machine Learning-Accelerated High-Throughput Computational Screening: Unveiling Bimetallic Nanoparticles with Peroxidase-Like Activity.

Bimetallic nanoparticles (NPs) with peroxidase-like (POD-like) activity play a crucial role in biosensing, disease treatment, environmental management, and other fields. However, their development is impeded by a vast range of tunable properties in components and structures, making the establishment of structure-effect relationships and the discovery of active materials challenging. Addressing this, we established robust scaling relationships by meticulously analyzing the catalytic reaction networks of pure metal NPs, which laid the volcano-shaped correlation between the activity and O* adsorption energy. Utilizing these relationships, we introduced an innovative and versatile descriptor of the NPs, which was then integrated into a machine learning-accelerated high-throughput computational workflow, significantly boosting the predictive accuracy for the POD-like activity of bimetallic NPs. Our methodological approach enabled the successful prediction of activities for 1260 bimetallic NPs, leading to the identification of several highly effective catalysts. Furthermore, we distilled several strategies for designing efficient bimetallic NPs based on our screening results.

A High-Sensitivity Benchtop X-Ray Fluorescence Emission Tomography (XFET) System With a Full-Ring of X-Ray Imaging-Spectrometers and a Compound-Eye Collimation Aperture.

The advent of metal-based drugs and metal nanoparticles as therapeutic agents in anti-tumor treatment has motivated the advancement of X-ray fluorescence computed tomography (XFCT) techniques. An XFCT imaging modality can detect, quantify, and image the biodistribution of metal elements using the X-ray fluorescence signal emitted upon X-ray irradiation. However, the majority of XFCT imaging systems and instrumentation developed so far rely on a single or a small number of detectors. This work introduces the first full-ring benchtop X-ray fluorescence emission tomography (XFET) system equipped with 24 solid-state detectors arranged in a hexagonal geometry and a 96-pinhole compound-eye collimator. We experimentally demonstrate the system's sensitivity and its capability of multi-element detection and quantification by performing imaging studies on an animal-sized phantom. In our preliminary studies, the phantom was irradiated with a pencil beam of X-rays produced using a low-powered polychromatic X-ray source (90kVp and 60W max power). This investigation shows a significant enhancement in the detection limit of gadolinium to as low as 0.1 mg/mL concentration. The results also illustrate the unique capabilities of the XFET system to simultaneously determine the spatial distribution and accurately quantify the concentrations of multiple metal elements.

Chitosan as a Bio-Based Ligand for the Production of Hydrogenation Catalysts

Bio-based polymers are attracting increasing interest as alternatives to harmful and environmentally concerning non-biodegradable fossil-based products. In particular, bio-based polymers may be employed as ligands for the preparation of metal nanoparticles (M(0)NPs). In this study, chitosan (CS) was used for the stabilization of Ru(0) and Rh(0) metal nanoparticles (MNPs), prepared by simply mixing RhCl3 × 3H2O or RuCl3 with an aqueous solution of CS, followed by NaBH4 reduction. The formation of M(0)NPs-CS was confirmed by Fourier Transform Infrared Spectroscopy (FT-IR), Differential Scanning Calorimetry (DSC), Thermal Gravimetric Analysis (TGA), Scanning Electron Microscopy (SEM), Energy-Dispersive X-ray Analysis (EDX), Transmission Electron Microscopy (TEM) and X-ray Diffraction (XRD). Their size was estimated to be below 40 nm for Rh(0)-CS and 10nm for Ru(0)-CS by SEM analysis. M(0)NPs-CS were employed for the hydrogenation of (E)-cinnamic aldehyde and levulinic acid. Easy recovery by liquid-liquid extraction made it possible to separate the catalyst from the reaction products. Recycling experiments demonstrated that M(0)NPs-CS were highly efficient up to four times in the best hydrogenation conditions. The data found in this study show that CS is an excellent ligand for the stabilization of Rh(0) and Ru(0) nanoparticles, allowing the production of some of the most efficient, selective and recyclable hydrogenation catalysts known in the literature.

Cervical Cancer Therapeutics: An In-depth Significance of Herbal and Chemical Approaches of Nanoparticles.

Cervical cancer emerges as a prominent health issue, demanding attention on a global level for women's well-being, which frequently calls for more specialized and efficient treatment alternatives. Traditional therapies may have limited tumour targeting and adverse side effects. Recent breakthroughs have induced a transformative shift in the strategies employed against cervical cancer. biocompatible herbal nanoparticles and metallic particles made of gold, silver, and iron have become promising friends in the effort to fight against this serious disease and understand the possibility of these nanoparticles for targeted medication administration. this review article delves into the latest advancements in cervical cancer research. The safety and fabrication of these nanomaterials and their remarkable efficacy against cervical tumour spots are addressed. This review study, in short, provides an extensive introduction to the fascinating field of metallic and herbal nanoparticles in cervical cancer treatment. The information that has been examined points to a bright future in which women with cervical cancer may experience fewer side effects, more effective therapy, and an improved quality of life. This review holds promise and has the potential to fundamentally reshape the future of cervical cancer treatment by addressing urgent issues and unmet needs in the field.

Study on the evolutionary mechanism of the cavity inside aluminum nanoparticles while reacting with oxygen

Aluminum nanoparticles are often considered attractive choices for fuels in energetic materials. In this study, molecular dynamics simulation with the reactive force field (ReaxFF) was used to study the oxidation process of three different particle sizes (4 nm, 5 nm, 6 nm) of ANPs (aluminum nano-particles). The cavity formation mechanism was obtained during the ANPs oxidation process. The cavity size, the oxide layer thickness, and the active aluminum content of ANPs with time were obtained. The results indicated that the formation of cavities is highly dependent on particle size. Large particle size prevents the formation of cavities. In 0–100 ps, the average growth rate of the oxide layer is 0.33, 0.25, and 0.20 nm/ps, respectively. Within 100–250 ps, the average growth rate of the oxide layer is −0.017, 0.038, and 0.117 nm/ps, respectively. Our results emphasize the effect of particle size on cavity formation, which provides insights into the atomic-scale oxidation mechanism of metal nanoparticles.