Effect Of Nanoparticle Size Research Articles

A computational study of the size effect of SiO2 spherical nanoparticles in water solvent.

This study comprehensively describes the interaction between SiO2 spherical nanoparticles and water molecules as a solvent medium. Our goal is to provide valuable insights into the significance of nanoparticle size in understanding their behavior and the resulting changes in the physical properties of materials. Our results indicate that SiO2 nanoparticles exhibit a strong affinity for water, which increases with the nanoparticle size. Our investigation can be relevant for the design of new composite materials with applications ranging from medical prostheses to quantum electronics, optoelectronic devices, catalysis, and photoluminescence. We have concentrated on the study of the amorphous, where size effects seem to be more pronounced. A computational study was carried out within the molecular dynamics simulations framework available in the GROMACS-v2019.2 software, with force fields consistent with DFTand the CHARMM36 utilized in the molecular description of the systems. The water model used was the TIP3P implemented in CHARMM36 force fields. A comprehensive analysis of molecular interactions of various system configurations was performed, including radial distribution function (RDF), mean square displacement (RMSD), hydrogen bonding analysis,interfacial analysis, andstudying system size'seffect on mechanical properties.

Effect of Silver Nanoparticle Size on Antibacterial Activity

The ubiquitous use of products containing AgNPs results in the entry of nanoparticles into the environment. Both nanoparticles and Ag+ released upon their oxidative dissolution have a toxic effect on living microorganisms. The antibacterial activity of spherical silver nanoparticles of 10.8 ± 0.8 nm and 22.7 ± 2.2 nm in size stabilized by carbonate ions was studied against Escherichia coli and other bacteria. The biocidal action of silver increases as the particle size decreases. Analysis of these results and other known data made it possible to substantiate a linear proportional relationship between the minimum inhibitory concentration (MIC) or the half-maximal inhibitory concentration (IC50) and silver nanoparticle size and determine empirical parameters for this relationship. The antibacterial activity (toxicity) is directly proportional to the specific surface area of nanosized silver.

Effect of aluminum nanoparticles size and concentration on the combustion characteristics of nanofluid fuel: experiments and modeling

Effect of aluminum nanoparticles size and concentration on the combustion characteristics of nanofluid fuel: experiments and modeling

A numerical study of the effect of graphene nanoparticle size on brownian displacement, thermophoresis, and thermal performance of graphene/water nanofluid by molecular dynamics simulation

Brownian motion, often known as BM, is an inherent characteristic of minute particles suspended in a fluid. It plays an important role in several physical and chemical processes. Thermophoresis refers to the process where particles in a fluid are carried along with a gradient in temperature (Temp). This feature has significant importance in several applications, including microfluidics, thermal control, and energy conversion. Through the examination of the thermophoresis phenomenon in water/graphene nanofluid (NF), researchers might get valuable knowledge on the potential uses of these materials. The current study examined the effect of various sizes of graphene nanoparticles (NPs) (5, 6, 9, and 10 Å) on the thermal behavior (TB), BM, and thermophoresis of water/graphene NF using molecular dynamics (MD) simulation. This study reported the changes in heat flux (HF), thermal conductivity (TC), average Brownian displacement (BD), and thermophoresis. It is concluded that by increasing the size of graphene NPs from 5 to 10 Å, the average BD and thermophoresis increased from 3.06 Å and 23.88 Å to 4.16 Å and 31.46 Å, respectively. Due to their higher kinetic energy (KE) and momentum, larger graphene NPs experienced more BM, enabling them to withstand random thermal fluctuations more effectively than smaller particles. In addition, as the size of graphene NPs increased, the HF and TC values ​​increased from 39.54 W/m2 and 0.36 W/(m.K) to 47.19 W/m2 and 0.51 W/(m.K) after 10 ns. Therefore, the size-dependent changes in BD and thermophoretic effects led to a simultaneous increase in HF and TC of the NF, which was attributed to the larger heat transfer (HT) surface area, improved HT properties, and synergistic effects of larger graphene NPs. The maximum (Max) temperature increases from 1415 K to 1504 K. These findings were useful in a variety of industries, particularly for improving TB in different NFs.

Effect of Nano Particle Size on Mechanical and Fatigue Behavior of TiO2 Particular—Reinforced Aluminum Alloy Composites

Aluminum alloys are among the most widely used materials in the parts and vehicle sectors due to their high strength-to-weight ratio and qualities such as higher corrosion and wear resistance, as well as minimal thermal growth when compared to other metals. This research involved matrix alloy AA7075 aluminum reinforced with constant 7 wt. % TiO2 (with different particle sizes 30, 70, and 100 nm). The goal of this study is to improve the mechanical (impact strength and young modulus) and fatigue properties of AA7075 alloy-based metal matrix composites, and fatigue. AA7075 composites with a constant weight percentage of 7wt.% of TiO2 and variable particle size have been successfully synthesized by the stir casting route. Microstructural examinations revealed that nanocomposites with (30nm) particle size have better distribution and less porosity compared to the other particles size. The nanocomposite having 30 nm particle size was found to have maximum improvement UTS and YS in comparison with the other nanocomposites, 20.45%, and 12.87% respectively, and minimum elongation. An increase in particle size and fatigue results indicates the decreasing trend of fatigue life and strength. The higher endurance fatigue limit was recorded to be (23.875 MPa) for (30 nm) nanocomposite.

Upcycling of Chitin to Cross-Coupling Catalysts: Tailored Supports and Opportunities in Mechanochemistry.

In this study chitin derived from shrimp shells was used in the design of heterogeneous Pd-based catalysts for Heck and Suzuki-Miyaura cross-coupling reactions. The synthesis of Pd nanoparticles supported on N-doped carbons was performed through different approaches, including a sustainable mechanochemical approach, by using a twin-screw extruder. All catalytic systems were characterized by a multitechnique approach and the effect of nanoparticles size, N-doping on the support, and their synergistic interactions were elucidated. Specifically, Kelvin Probe Atomic Force Microscopy provided valuable insights on charge transfer and metal-support interactions. The catalytic behaviour of the samples was investigated in cross-coupling reactions under batch conditions and under semi-continuous flow solvent-free conditions, respectively obtaining a quantitative yield and a noteworthy productivity of 8.7 mol/(gPdh).

Size Effects of Gold Nanoparticles on Surface Plasmon Resonance Assays for DNA Hybridization.

Recent advancements in signal amplifiers, such as biofunctionalized gold nanoparticles (AuNPs) have improved the surface plasmon resonance (SPR) performance. However, the correlation between the sizes of DNA-Au conjugates and the SPR chips remains elusive. We investigated how the size of AuNPs functioned with DNA detection probes (D-AuNPs) affect SPR signals in sandwich DNA hybridization assays. The effects of three sizes (5, 13, and 29 nm) of D-AuNPs with an equal surface probe density were systematically compared to delineate the relationship between signal amplification and steric hindrance. Sporadically adsorbed target DNA on sparse capture probe-coated chips led to a growth of signal amplification with larger D-AuNPs. In contrast, on dense capture probe-coated SPR chips, when the target DNA concentration was above 1.5 nM, the medium-sized 13-nm AuNPs displayed 1.7- and 1.3-fold enhancement factors than 5-nm and 29-nm ones, respectively. Our results indicate the steric hindrance disturbs the capture of D-AuNPs on dense target DNA-modified chips, rendering the surface density of captured D-AuNPs a determining factor of the sensor response. Alternatively, the sensor sensitivity to D-AuNP surface density is crucial on chips with sparse target DNA. These insights should stimulate and guide future research on surface functionalization toward SPR sensors and AuNPs.

Effects of SiO2 Particle Size in Soggy‐Sand Electrolyte on Electrochemical Performance of Zinc‐Ion Batteries

AbstractThe presence of free water molecules in the aqueous electrolyte leads to serious side reactions at the interface, easy dissolution of the cathode material, and uncontrolled growth of zinc dendrites in Zn‐ion batteries, which hinders their practical applications. Here, we propose a type of SiO2‐based soggy‐sand electrolyte (ZnSO4+MnSO4 electrolyte with SiO2, SiO2‐ZMSO4) and focus on the effect of the SiO2 nanoparticle size on the performance of soggy‐sand electrolyte. It is found that SiO2 with smaller nanoparticle size provides higher porosity, and the SiO2 network‐formed can effectively trap the free water in the electrolyte, which increases the ionic conductivity of electrolyte, widens working voltage window, and decreases the internal resistance of batteries. As a result, the Zn//MnO2 batteries with 20 nm SiO2‐based soggy‐sand electrolyte show stable cycling performance and rate capacities. The specific capacity of the battery can be maintained at 198.5 mAh g−1 after 1200 cycles at 1 A g−1 without capacity degradation. The specific capacity can be increased by 100 mAh g−1 even at a high rate of 5 A g−1. This study provides the rule of particle selection for the development of aqueous soggy‐sand electrolytes used in aqueous rechargeable batteries.

Clathrin-Mediated Endocytosis of Multiple Nanoparticles Tends to Be Less Cooperative: A Computational Study.

The internalization of nanoparticles is of great significance for their biological applications. Clathrin-mediated endocytosis (CME) is one of the main endocytic pathways. However, there is still a lack of a fundamental understanding regarding the internalization of multiple nanoparticles via CME. Therefore, in this study, we conducted computational investigations to uncover detailed molecular mechanisms and kinetic pathways for differently shaped nanoparticles in the presence of clathrin. Particular focus is given to understanding the CME of multiple-nanoparticle systems. We found that unlike receptor-mediated endocytosis, multiple nanoparticles did not get cooperatively wrapped by the membrane but tended to undergo independent endocytosis in the presence of clathrin. To further investigate the endocytosis mechanism, we studied the effects of clathrins, nanoparticle shape, nanoparticle size, nanoparticle arrangement, and membrane surface tension. The self-assembly of clathrin prefers independent endocytosis for multiple nanoparticles. Besides, the cooperative behavior is weak with increasing nanoparticle-shape anisotropy. However, when the membrane tension is reduced, the endocytosis pathway for multiple nanoparticles is cooperative endocytosis. Moreover, we found that the self-assembly of clathrins reduces the critical size of nanoparticles to undergo cooperative wrapping by the cell membrane. Our results provide valuable insights into the molecular mechanisms of multiple nanoparticles through CME and offer useful guidance for the design of nanoparticles as drug/gene delivery carriers.

Elucidating Supercrystal Mechanics and Nanoparticle Size and Shape Effects under High Pressure

Elucidating Supercrystal Mechanics and Nanoparticle Size and Shape Effects under High Pressure

The effect of nanoparticle size on the irradiation response of Cu-Y2O3 alloy under He/D sequential irradiation

In current work, the effect of nanoparticle size in Cu-Y2O3 alloy on the microstructure response after He/D sequential irradiation is studied using a transmission electron microscope (TEM) and nanoindentation. The results indicated that the direct contribution of nanoparticle/matrix interface to defect evolution and irradiation hardening of ODS Cu is limited when the nanoparticle size is larger than 20 nm. The difference in the proportion of ∑3 grain boundary and small angle grain boundaries was observed with different nanoparticle sizes, which suggests that the indirect effects on the sink strength caused by changes in the nature of grain boundary cannot be ignored, especially for the large particles. Besides, the distribution of bubbles after sequential He/D irradiation was highly similar to that in single He irradiation.

Insights into the dynamics of supported Au nanoparticles in the wet environments from first-principles and ReaxFF MD simulations

The interactions between metal and oxide supports have been widely studied, where the size effect of metal nanoparticles (NPs) and the gas environment play critical roles in catalytic performance. We employed density functional theory and ReaxFF reactive force field to investigate the size dependent properties of gold NPs supported on cerium dioxide, such as structural dynamics, adsorption, and electronic properties under wet environments. Distinct dynamic behaviors were observed in wet environments compared to vacuum conditions. In the wet environments, the hydroxide (OH) species preferentially adsorbs on the low coordination sites, such as edge sites, of NPs. This selective absorption induces a reconstruction effect on small NPs. Moderate-sized NPs exhibit significant surface reconstruction due to abundant OH adsorption at interface sites. However, this effect is negligible in larger NPs. A high interfacial population of OH significantly contributes the high catalytic performance of moderate-sized NPs. Moreover, OH adsorption modulates the charge distribution within the NPs, leading to their stabilization through OH-induced charge transfer. These findings provide insights into understanding and optimizing reactions in wet environments, offering a foundation for the development of more effective catalyst.

Rational design of stable Cu and AuCu nanoparticles for investigations of size-enhanced SERS applications

BackgroundWhile significant progress has been made to clarify the effects of Au and Ag nanoparticle size on SERS enhancement, research on the size effects of copper nanoparticles and copper-related nanoalloys on SERS enhancement remain scarce. Nanoscale copper (Cu) is important because of its unique sensing and catalytic properties; however, research on its size and compositional effects remains a significant challenge because of the intricate fabrication process and difficulty in preventing oxidation. ResultsOur study elucidated the size-dependent, surface-enhanced Raman scattering (SERS) of Cu NPs, particularly the sensing capabilities of both electromagnetic (EM) SERS at 1.5 × 103 and chemical enhancement (CE) SERS at 3.6 × 104 of approximately 58 nm Cu NPs. Additionally, a solution aging examination revealed preservation of the metal-related core structure, surface plasmon resonance, and SERS features of the PSMA/ONPG-coated Cu NPs for up to 7 days. With the introduction of galvanic replacement reactions and laser ablation syntheses, the incorporation of Au atoms enabled the fabrication of 7–75 nm AuxCuy nanoparticles by using the remaining Cu core after aging in water, which offered precise control over the Cu/Au ratio from 5/95 to 29/71. SERS measurements of the large AuxCuy nanoparticles amplified up to 1.4 × 104 of the EM-mediated vibrational signals from the adsorbed molecules. The strong Au–S chemical bonds of the Au-rich AuxCuy nanocrystals increased the CE SERS to 5.5 × 104, whereas the Au3Cu1 crystals at the AuxCuy interface decreased the CE SERS but improved the electron transfer for catalysis via SERS detection. SignificanceOur research provides further insight into the structural and size effects of Cu and AuCu alloys used as SERS enhancers and offers avenues for designing cutting-edge SERS catalytic sensors tailored to Cu-related catalytic reactive structures.For the first time, we also manipulated the Cu atomic structure and surface composition to understand the significance of surface effects on SERS substrates of the Cu series from a nanoscale analytical perspective.

محاكاة تدفق السوائل النانوية الصفائحية على خطوة ساخنة مزدوجة مواجهة للخلف

This research focuses on heat transfer enhancement by separating flow over a double backward-facing step using nanofluid. To conduct this research, a numerical model was constructed using the ANSYS Workbench, and the governing equations were solved using the realizable k-ε model with a second-order upwind scheme. Three different types of base fluid (water, engine oil, and ethylene glycol) with nanoparticles (AL2O3, TiO2, and Cu) were used for Reynolds numbers ranging from 200 to 1000. The constant heat flux of the 2000 W/m2 boundary condition is considered on the lower wall. The effect of nanoparticle material, nanoparticle concentrations, nanoparticle sizes, and Reynolds numbers on the Nusselt number is investigated. Two different approaches for estimating nanofluid thermal conductivity and viscosity have been used. The numerical code results were verified with previous numerical data. The results showed that the peak of the Nusselt number occurs immediately after the steps. The results demonstrated a significant improvement in the heat transfer performance of nanofluids, especially Cu/engine oil nanofluids, compared to conventional base fluids with other nanoparticles. It was noticed that the Nusselt number increases with decreasing nanoparticle diameter and also with increasing Reynolds number.

UV-random lasing of ZnO films decorated with Au nanoparticles and modification of lasing threshold by surface plasmon effect

Threshold energy values for random lasing action are determined from spectral and temporal coherence studies in systems with incoherent feedback. Zinc oxide films with and without their surface having been decorated with gold nanoparticles stand simultaneously for the active and the scattering medium, whereas pumping is carried out by a conventional laser system operating at the picosecond pulse regime. The influence of the gold surface on both the threshold and the intensity of the optical response is investigated. Whenever localized surface plasmon resonances are supported, electron mobility at the gold boundaries facilitates reinsertion of the trapped electrons into shallow defect levels to the conduction band. In consequence the characteristic visible emission from ZnO (green) due to transitions from such levels is suppressed, thus lowering the pumping threshold prerequisite for random lasing emission. The tunning of the random lasing threshold is achievable by means of control on the morphology and size effects of the gold nanoparticles. This contribution shows that specific post-thermal treatments could be exploited to adjust the lasing properties of novel metal decorated systems, which already feature random lasing before decoration. In principle, the extension of the decoration should be rather small to minimize response losses due to screening side effects of the metal phase, which obtrudes direct contact of the pumping photons with the semiconductor system.

Multiscale modelling of nanoparticle toughening in epoxy: Effects of particle-matrix interface, particle size, and volume fraction

Toughening matrix materials by incorporating rigid nanoparticles has received significant interest for mitigating matrix microcracking in fibre-reinforced polymer-matrix composites, particularly at cryogenic temperatures. Despite recent experimental observations indicating the effectiveness of nanoparticle toughening, a notable gap remains in understanding the effects of nanoparticle size and volume fraction, and particle-matrix interfacial properties, on toughening efficacy. To address this gap, a multiscale model has been developed which employs a high-fidelity micromechanical model to quantify the deformation and energy dissipation caused by the rigid nanoparticles under a triaxial strain state determined from a macroscopic elastoplastic analysis. The interface between the nanoparticle and the matrix is characterized by a cohesive zone model (CZM), revealing a size-dependent phenomenon distinct to nanoparticles, sharply contrasting with micrometre-sized particles. Furthermore, the results reveal, for the first time, an optimum particle size that maximizes the toughening effect for a given particle-matrix combination. The existence of an optimum size is ascribed to the incomplete particle debonding from the matrix as the particle radius approaches the critical separation distance of the CZM. This revelation challenges the prevailing belief that, for a fixed volume fraction of nanoparticles, the enhancement in toughness rises as the particle size decreases as a result of the increase in total particle surface area. The implications for enhancing cryogenic performance are explored.

Magnetic properties and size effects of Fe, Co, Ni nanoparticles and FePt, CoPt, NiPt nanoalloys

Using density functional theory, we determine the magnetic properties and the size effects of iron, cobalt and nickel nanoparticles and their alloys with platinum. Some weak oscillations of the spin magnetic moment are found due to the relaxation acting on the distances between the shells of the nanoparticles. The magnetic moment of the pristine nanoparticles depends mainly on the coordination. In the nanoalloys, due to a localization resulting from the variation of the atomic potential by assembling two different species, the magnetic moment of the nanoalloys is less dependent on the coordination and is more uniformly distributed at the surface.

Revealing the Size and Potential Dependent D2O Microkinetics on Pt Nanoparticles Using Grand Canonical Ensemble Modeling.

Revealing the potential and nanoparticle size effect is significant for understanding the electrochemical microkinetic behaviors under real reaction conditions. Herein, an efficient strategy of combining the robust fully converged constant potential (FCP) algorithm and the size dependent site distribution rule assumption was proposed. A simple reaction of isotopic D2O/H2O adsorption and dissociation on Pt nanoparticles was set as the model reaction. The results show that the cathodic negative potential and the anodic positive potential would result in the D2O orientation of the D-down/O-down physisorption configuration. Microkinetic simulations by this strategy obtained electrochemical widows for D2O/H2O dissociation, and the optimal Pt nanoparticle diameter was predicted to be 1.8 nm, which agrees well with the experimental observation of ∼2 nm threshold. The kinetic isotope effect (KIE) rate constant ratio at the optimal potential of -0.80 V vs SHE was calculated to be ∼1.83. This work provides a guideline in studying electrochemical electrode-electrolyte interactions on nanoparticles.

Antibacterial Size Effect of ZnO Nanoparticles and Their Role as Additives in Emulsion Waterborne Paint.

Nosocomial infections, a prevalent issue in intensive care units due to antibiotic overuse, could potentially be addressed by metal oxide nanoparticles (NPs). However, there is still no comprehensive understanding of the impact of NPs' size on their antibacterial efficacy. Therefore, this study provides a novel investigation into the impact of ZnO NPs' size on bacterial growth kinetics. NPs were synthesized using a sol-gel process with monoethanolamine (MEA) and water. X-ray diffraction (XRD), transmission electron microscopy (TEM), and Raman spectroscopy confirmed their crystallization and size variations. ZnO NPs of 22, 35, and 66 nm were tested against the most common nosocomial bacteria: Escherichia coli, Pseudomonas aeruginosa (Gram-negative), and Staphylococcus aureus (Gram-positive). Evaluation of minimum inhibitory and bactericidal concentrations (MIC and MBC) revealed superior antibacterial activity in small NPs. Bacterial growth kinetics were monitored using optical absorbance, showing a reduced specific growth rate, a prolonged latency period, and an increased inhibition percentage with small NPs, indicating a slowdown in bacterial growth. Pseudomonas aeruginosa showed the lowest sensitivity to ZnO NPs, attributed to its resistance to environmental stress. Moreover, the antibacterial efficacy of paint containing 1 wt% of 22 nm ZnO NPs was evaluated, and showed activity against E. coli and S. aureus.

Size effects of gold nanoparticles on activities of cellulose nanofiber-textured SERS substrates

Size effects of gold nanoparticles on activities of cellulose nanofiber-textured SERS substrates