Convergence and Performance Analysis of a Particle Swarm Optimization Algorithm for Optical Tuning of Gold Nanohole Arrays.

Gold nanohole arrays, hybrid metal/dielectric metasurfaces composed of periodically arranged air holes in a thick gold film, exhibit versatile support for both localized and propagating surface plasmons. Leveraging their capabilities, particularly in surface plasmon resonance-oriented applications, demands precise optical tuning. In this study, a customized particle swarm optimization algorithm, implemented in Ansys Lumerical FDTD, was employed to optically tune gold nanohole arrays treated as bidimensional gratings following the Bragg condition. Both square and triangular array dispositions were considered. Convergence and evolution of the particle swarm optimization algorithm were studied, and a mathematical model was developed to interpret its outcomes.

Enhanced performance of fiber-based perovskite solar cell achieved by multi-functional high polymer doping strategy.

Toward the realization of efficient, durable, and sustainable fiber-based perovskite solar cells (fb-PSCs), a comprehensive optimization strategy focused on enhancing electron transport layer (ETL), perovskite (PVK) photovoltaic layer, and hole transport layer (HTL) is presented. A champion PCE of 10.66 % with 37.9 % relative enhancement over control has been achieved in the optimized fb-PSC. A significantly improved mechanical resilience and storage durability are also recorded. Decorating the SnO2 ETL with methylammonium lead triiodide (MAPbI3) strengthened the ETL/PVK interfacial integrity, and doping the MAPbI3 layer with the multi-functional polymer of PJ71 remarkably enhanced the PVK layer's crystallization quality, and effectively passivated the grain boundary defects. A CO2 pre-treatment of the spiro-OMeTAD HTL enhanced its hole conductivity. It is the synergetic combination of these methodologies that mutually contributed to the performance boost of the fb-PSC. The phenomenological model based on layer conductance shows that the PVK layer chiefly influences the device's anti-bending ability, followed by the ETL, and HTL the least impact. To further enhance the PCE of fb-PSCs, optimizing the interface and minimizing the stress-induced defects are essential. These measures, coupled with increasing carrier diffusion length and reducing surface recombination, are key to advancing the fb-PSC performance. An encapsulation with polyolefin elastomer substantially reduced the potential lead leakage of the device, and facilitated its eco-friendly application.

Discrimination of object information by bat echolocation deciphered from acoustic simulations.

High-precision visual sensing has been achieved by combining cameras with deep learning. However, an unresolved challenge involves identifying information that remains elusive for optical sensors, such as occlusion spots hidden behind objects. Compared to light, sound waves have longer wavelengths and can, therefore, collect information on occlusion spots. In this study, we investigated whether bats could perform advanced sound sensing using echolocation to acquire a target's occlusion information. We conducted a two-alternative forced choice test on Pipistrellus abramus with five different targets, including targets with high visual similarity from the front, but different backend geometries, i.e. occlusion spots or textures. Subsequently, the echo impulse responses produced by these targets, which were difficult to obtain with real measurements, were computed using three-dimensional acoustic simulations to provide a detailed analysis consisting of the acoustic cues that the bats obtained through echolocation. Our findings demonstrated that bats could effectively discern differences in target occlusion spot structure and texture through echolocation. Furthermore, the discrimination performance was related to the differences in the logarithmic spectral distortion of the occlusion-related components in the simulated echo impulse responses. This suggested that the bats obtained occlusion information through echolocation, highlighting the advantages of utilizing broadband ultrasound for sensing.

Numerical Study on Overcoming the Light-Harvesting Limitation of Lead-Free Cs2AgBiBr6 Double Perovskite Solar Cell Using Moth-Eye Broadband Antireflection Layer.

Lead-free Cs2AgBiBr6 double perovskite has emerged as a promising new-generation photovoltaic, due to its non-toxicity, long carrier lifetime, and low exciton binding energies. However, the low power conversion efficiency, due to the high indirect bandgap (≈2 eV), is a challenge that must be overcome and acts as an obstacle to commercialization. Herein, to overcome the limitations through the light trapping strategy, we analyzed the performance evaluation via FDTD simulation when applying the moth-eye broadband antireflection (AR) layer on top of a Cs2AgBiBr6 double perovskite cell. A parabola cone structure was used as a moth-eye AR layer, and an Al2O3 (n: 1.77), MgF2 (n: 1.38), SiO2 (n: 1.46), and ZnO (n: 1.9) were selected as investigation targets. The simulation was performed assuming that the IQE was 100% and when the heights of Al2O3, MgF2, SiO2, and ZnO were 500, 350, 250, and 450 nm, which are the optimal conditions, respectively, the maximum short-circuit current density improved 41, 46, 11.7, and 15%, respectively, compared to the reference cell. This study is meaningful and innovative in analyzing how the refractive index of a moth-eye antireflection layer affects the light trapping within the cell under broadband illumination until the NIR region.

Visible and angular interrogation of Kretschmann-based SPR using hybrid Au-ZnO optical sensor for hyperuricemia detection.

Uric acid is a waste product of the human body where high levels of it or hyperuricemia can lead to gout, kidney disease and other health issues. In this paper, Finite Difference Time Doman (FDTD) simulation method was used to develop a plasmonic optical sensor to detect uric acid with molarity ranging from 0 to 3.0 mM. A hybrid layer of gold-zinc oxide (Au-ZnO) was used in this Kretschmann-based Surface Plasmon Resonance (K-SPR) technique with angular interrogation at 670 nm and 785 nm visible optical wavelengths. The purpose of this study is to observe the ability of the hybrid material as a sensing performance enhancer for differentiating between healthy and unhealthy uric acid levels based on the refractive index values from previous study. Upon exposure to 670 nm wavelength, the average sensitivity of this sensor was found to be 0.028°/mM with a linearity of 98.67 % and Q-factor value of 0.0053 mM-1. While at 785 nm, the average sensitivity is equal to 0.0193°/mM with slightly lower linearity at 94.46 % and Q-factor value of 0.0076 mM-1. The results have proven the ability of hybrid material Au-ZnO as a sensing performance enhancer for detecting uric acid when compared with bare Au and can be further explored in experimental work.

Reproducible SERS substrates manipulated by interparticle spacing and particle diameter of gold nano-island array using in-situ thermal evaporation.

Gold (Au) nano-island arrays were deposited on the glass substrate to fabricate surface-enhanced Raman scattering (SERS) substrates by in-situ thermal evaporation (deposited and annealed samples at the same time). The optimal SERS intensity deposited by various thicknesses and in-situ annealing temperatures of Au nano-island arrays would be investigated. The biomolecules (adenine) were dropped on the well-designed SERS substrate for precise and quantitative SERS detection. The characterization of Au nano-island arrays SERS substrate would be evaluated by scanning electron microscope (SEM) and Raman spectroscopy. The results showed that the optimal deposition thickness and annealing temperature of Au nano-island arrays SERS substrate is about 14 nm and 200 °C respectively, which can construct the smallest interparticle spacing (W)/ particle diameter (D) ratio and the lowest reflection (%) and transmittance (%) to form the strongest SERS intensity. Moreover, finite-difference time-domain (FDTD) simulation of the electromagnetic field distributions on Au nano-island arrays displays the similar trend with the experimental results. The 14 nm deposition with 200 °C in-situ annealing temperature would display the highest density of hot-spots by FDTD simulation. The reproducible Au nano-island arrays SERS substrates with tunable surface roughness, W/D ratio, and lower reflection and transmittance show promising potential for SERS detection of biomolecules, bacteria, and viruses.

Refractive Index Dependence of Fluorescence Enhancement in a Nanostructured Plasmonic Grating.

Plasmonic gratings are attracting huge interest in the context of realizing sensors based on surface-enhanced fluorescence. The grating features control the plasmonic modes and consequently have a strong effect on the fluorescence response. Within this framework, we focused on the use of a buffer solution flowing across the grating active surface to mimic a real measurement. The refractive index of the surrounding medium is therefore altered, with a consequent modification of the resonance conditions. The result is a shift in the spectral features of the fluorescence emission accompanied by a reshaping of the fluorescence emission in terms of spectral weight and direction.

A Numerical Method of Aligning the Optical Stacks for All Pixels.

Reducing performance verification time is significant in product launch and production costs. This is especially true because aligning the optical stacks of off-axis pixels is a time-consuming task, but it is important to maintain sensitivity. In this paper, a numerical method to align the optical stacks of off-axis pixels is suggested in order to reduce performance test time. The components of the numerical method are the optical stack height, refractive index, and chief ray angle in order to calculate the optical stacks' optimal shift distance. The proposed method was investigated to confirm effectiveness by using optical simulation. The sub-micron backside illumination (BSI) pixels were simulated, having 2 × 2 microlens, quad-color filter array, and in-pixel deep trench isolation (DTI). Moreover, the proposed method was evaluated for various pixel pitches, microlens shapes, and CRAs. As a result, the optical stacks were optimized by using the numerical method and validated via optical simulation. Therefore, the proposed numerical method is expected to help reduce the time and cost.

Construction of Ag nanocluster-modified Ag3PO4 containing silver vacancies via in-situ reduction: With enhancing the photocatalytic degradation activity of sulfamethoxazole.

Photocatalytic removal of sulfonamide antibiotics is an effective strategy to solve environmental pollution. Ag3PO4 is a promising anode material for photocatalytic material with photocatalytic degradation ability under ultraviolet light or natural light. Unfortunately, due to its instability, Ag+ could be reduced to Ag0 which loaded onto the surface of Ag3PO4 during the photocatalytic process, causing self-photocorrosion and resulting in the reduction of photocatalytic activity and stability. Herein, Ag3PO4 nanoparticles loaded with Ag nanoclusters containing Ag vacancies (Ag/Ag3PO4-VAg) were constructed by an in-situ reduction strategy to achieve effectively photocatalytic degradation behavior. The Ag nanoclusters loaded on the surface of Ag3PO4 can not only effectively inhibit the self-photocorrosion but also affords a localized surface plasmon resonance (LSPR) effect in the photocatalytic process, thus leading to the efficient generation and rapid transfer of photogenerated carriers behavior. In addition, the Ag vacancies in Ag3PO4 are crucial to increasing the adsorption energy of H2O for further enhancing the capture and accumulation of electrons. In detail, according to Zeta potential analysis, the strong adsorption sites of sulfamethoxazole (SMX) molecules are generated at the interface of Ag and Ag3PO4, which promote the activation of SMX molecules. A 100 ml of 20 mg/L SMX could be completely degraded within 15 min with an apparent rate constant (Kapp) of 0.306 min-1, which far exceeds the activity of most of the photocatalysts. This work may provide an attractive strategy to address the activity, stability of Ag3PO4 and and realizing the green remediation of SMX wastewater.

Plasmonic Modes and Fluorescence Enhancement Coupling Mechanism: A Case with a Nanostructured Grating.

The recent development and technological improvement in dealing with plasmonic metasurfaces has triggered a series of interesting applications related to sensing challenges. Fluorescence has been one of the most studied tools within such a context. With this in mind, we used some well characterized structures supporting plasmonic resonances to study their influence on the emission efficiency of a fluorophore. An extended optical analysis and a complementary investigation through finite-difference time-domain (FDTD) simulations have been combined to understand the coupling mechanism between the excitation of plasmonic modes and the fluorescence absorption and emission processes. The results provide evidence of the spectral shape dependence of fluorescence on the plasmonic field distribution together with a further relationship connected with the enhancement of its signal. It has made evident that the spectral region characterized by the largest relative enhancement closely corresponds to the strongest signatures of the plasmonic modes, as described by both the optical measurements and the FDTD findings.

LSPR Tunable Ag@PDMS SERS Substrate for High Sensitivity and Uniformity Detection of Dye Molecules.

At present, the use of efficient and cost-effective methods to construct plasmonic surface-enhanced Raman scattering (SERS) substrates of high sensitivity, uniformity and reproducibility is still crucial to satisfy the practical application of SERS technology. In this paper, a localized surface plasmonic resonance (LSPR) tunable flexible Ag@PDMS substrate was successfully constructed by the low-cost bio-template-stripping method and magnetron sputtering technology. The theory proves that the local electromagnetic field enhancement and "hot spot" distribution is adjustable by modifying the size of the optical cavity unit in the periodicity nanocavity array structure. Experimentally, using rhodamine 6G (R6G) as the target analyte, the SERS performance of optimal Ag@PDMS substrate (Ag film thickness for 315 nm) was researched in detail, which the minimum detection limit was 10-11 M and the enhancement factor was calculated as 8.03 × 108, indicating its high sensitivity. The relative standard deviation (RSD) was calculated as 10.38%, showing that the prepared substrate had excellent electromagnetic field enhancement uniformity. At last, the trace detection of Crystal violet (CV, LOD = 10-9 M) and the simultaneous detection of three common dyes (R6G, CV and Methylene blue (MB) mixture) were also realized. This result suggests that the SERS substrate has a good application prospect in the quantitative and qualitative detection of dye molecules.

Designed Growth of AgNP Arrays for Anti-counterfeiting Based on Surface-Enhanced Raman Spectroscopy Signals.

Based on etched PS sphere arrays, the different growths of Ag nanoparticles with tunable LSPR are designed when SiO2-25 nm/Ag-30 nm/SiO2-100 nm sandwich nanocavity structures are annealed at 500 °C, including the hexagonal silver nanoparticle rings, circular silver nanoparticle rings, and aggregated silver nanoparticles. The uniformity of particle size and regularity of position generate enhanced electromagnetic field and good surface-enhanced Raman spectroscopy signals as confirmed by UV-vis observation and finite difference time domain method simulation. The developed nanostructures are effectively used as stable, nonreproducible, and markable anti-counterfeiting signs.

Molecularly imprinted core-shell Au nanoparticles for 2,4-dichlorophenoxyacetic acid detection in milk using surface-enhanced Raman spectroscopy.

Surface-enhanced Raman spectroscopy (SERS) has been extensively investigated for rapid and sensitive detection of trace level chemical contaminants in foods. Lack of selectivity to the targeted molecules in food matrices and fairly poor spectral reproducibility remain the main challenges for practical SERS applications. Herein, an ingenious strategy was proposed to hybridize molecularly imprinted polymers (MIPs) with gold nanoparticles as the functional SERS substrate for selective separation and detection of 2,4-dichlorophenoxyacetic acid (2,4-D), a systemic herbicide that has acute toxicity and potential cancer risk. The core-shell AuNPs@MIPs nanoparticles were finely tailored by wrapping an ultrathin layer of MIPs shell on the surface of AuNPs, which allowed selectively separating and enriching 2,4-D to the near surface of AuNPs and ensured the enhancement of Raman scattering signal of the analyte. Embedding an internal standard (i.e., 4-aminothiophenol) inside AuNPs@MIPs for SERS spectral calibration improved the quantification accuracy for 2,4-D. Three-dimensional finite difference time domain (3D-FDTD) simulation demonstrated the maximal electric field enhancement presented in the gap between adjacent AuNPs@MIPs with the theoretical enhancement factor (EF) as high as 5.85 × 106. Chemometric models established using SERS spectra showed accurate differentiation and quantification results for 2,4-D in milk at various contamination levels with a limit of detection (LOD) of 0.011 µg/mL. Our approach to integrate MIPs with noble metallic nanoparticles has great potential for selective and quantitative detection of analytes using SERS for practical agri-food analysis.

The impact of respiratory motion on electromagnetic fields and specific absorption rate in cardiac imaging at 7T.

PURPOSE: To present electromagnetic simulation setups for detailed analyses of respiration's impact on B 1 + $$ {B}_1^{+} $$ and E-fields, local specific absorption rate (SAR) and associated safety-limits for 7T cardiac imaging. METHODS: Finite-difference time-domain electromagnetic field simulations were performed at five respiratory states using a breathing body model and a 16-element 7T body transceiver RF-coil array. B 1 + $$ {B}_1^{+} $$ and SAR are analyzed for fixed and moving coil configurations. SAR variations are investigated using phase/amplitude shimming considering (i) a local SAR-controlled mode (here SAR calculations consider RF amplitudes and phases) and (ii) a channel-wise power-controlled mode (SAR boundary calculation is independent of the channels' phases, only dependent on the channels' maximum amplitude). RESULTS: Respiration-induced variations of both B 1 + $$ {B}_1^{+} $$ amplitude and phase are observed. The flip angle homogeneity depends on the respiratory state used for B 1 + $$ {B}_1^{+} $$ shimming; best results were achieved for shimming on inhale and exhale simultaneously ( | Δ C V | < 35 % $$ \mid \Delta CV\mid <35\% $$ ). The results reflect that respiration impacts position and amplitude of the local SAR maximum. With the local-SAR-control mode, a safety factor of up to 1.4 is needed to accommodate for respiratory variations while the power control mode appears respiration-robust when the coil moves with respiration (SAR peak decrease: 9% exhale→inhale). Instead, a spatially fixed coil setup yields higher SAR variations with respiration. CONCLUSION: Respiratory motion does not only affect the B 1 + $$ {B}_1^{+} $$ distribution and hence the image contrast, but also location and magnitude of the peak spatial SAR. Therefore, respiration effects may need to be included in safety analyses of RF coils applied to the human thorax.

Surface Plasmon Resonance of Large-Size Ag Nanobars.

Silver nanobars have attracted much attention due to their distinctive localized surface plasmon resonance (LSPR) in the visible and near-infrared regions. In this work, large-size Ag nanobars (length: 400~1360 nm) working at a longer-wavelength near-infrared range (>1000 nm) have been synthesized. By using the finite-difference time-domain (FDTD) simulation, the LSPR properties of a single large-size Ag nanobar are systematically investigated. The LSPR in Ag nanobar can be flexibly tuned in a wide wavelength range (400~2000 nm) by changing the bar length or etching the bar in the length direction. Our work provides a flexible way to fabricate nanoparticle arrays using large-size nanobars and throws light on the applications of large-size nanomaterials on wide spectral absorbers, LSPR-based sensors and nanofilters.

Hierarchically Assembled Plasmonic Metal-Dielectric-Metal Hybrid Nano-Architectures for High-Sensitivity SERS Detection.

In this work, we designed and prepared a hierarchically assembled 3D plasmonic metal-dielectric-metal (PMDM) hybrid nano-architecture for high-performance surface-enhanced Raman scattering (SERS) sensing. The fabrication of the PMDM hybrid nanostructure was achieved by the thermal evaporation of Au film followed by thermal dewetting and the atomic layer deposition (ALD) of the Al2O3 dielectric layer, which is crucial for creating numerous nanogaps between the core Au and the out-layered Au nanoparticles (NPs). The PMDM hybrid nanostructures exhibited strong SERS signals originating from highly enhanced electromagnetic (EM) hot spots at the 3 nm Al2O3 layer serving as the nanogap spacer, as confirmed by the finite-difference time-domain (FDTD) simulation. The PMDM SERS substrate achieved an outstanding SERS performance, including a high sensitivity (enhancement factor, EF of 1.3 × 108 and low detection limit 10-11 M) and excellent reproducibility (relative standard deviation (RSD) < 7.5%) for rhodamine 6G (R6G). This study opens a promising route for constructing multilayered plasmonic structures with abundant EM hotspots for the highly sensitive, rapid, and reproducible detection of biomolecules.

The finite-difference time-domain (FDTD) guided preparation of Ag nanostructures on Ti substrate for sensitive SERS detection of small molecules.

Surface-enhanced Raman Scattering (SERS) has become a powerful analytical technique for highly sensitive detection of target molecules. Its performance, however, is heavily dependent on the substrates. Relatively low sensitivity for small molecules and poor reproducibility in quantitative analysis are often encountered in most of nanoparticle modified SERS substrate. The present work starts by theoretical investigation of the electromagnetic field enhancement by nanomaterials of coinage metals with different sizes. The finite-difference time-domain (FDTD) simulation results revealed that the Ag NPs with the size around 100 nm exhibit the strongest SERS effect and the 'Ag-Ag' gaps have shown higher electromagnetic field enhancement than that of the 'Ag-Ti' gap. Subsequently, a multilayered Ag nanoparticles SERS substrate (or other coinage metals) was prepared by a two-step electroless deposition of Ag on Ti substrate. This was achieved by in situ reduction of Ag precursor to subsequently form a Ag nanoflake (Ag NF) layer and a Ag nanoparticle (Ag NPs) layer on the Ti base (Ti/AgNFs/AgNPs). The as-prepared SERS substrate showed a substantially enhanced SERS effect for small molecule detection and detection limit as low as 1.0 × 10-17 M for picric acid (PA), 1.0 × 10-14 M for p-nitrotoluene (PNT) and 1.0 × 10-6 M for uric acid (UA) were obtained respectively. The facile method developed in this work should be widely applicable for in-situ preparation of other SERs substrates.

Giant Third-Harmonic Optical Generation from Topological Insulator Heterostructures.

The downscaling of nonlinear optical devices is significantly hindered by the inherently weak nonlinearity in regular materials. Here, we report a giant third-harmonic generation discovered in epitaxial thin films of V-VI chalcogenide topological insulators. Using a tailored substrate and capping layer, a single reflection from a 13 nm film can produce a nonlinear conversion efficiency of nearly 0.01%, a performance that rivals micron-scale waveguides made from conventional materials or metasurfaces with far more complex structures. Such strong nonlinear optical emission, absent from the topologically trivial member in the same compound family, is found to be generated by the same bulk band characteristics that are responsible for producing the band inversion and the nontrivial topological ordering. This finding reveals the possibility of obtaining superior optical nonlinearity by examining the large pool of newly discovered topological materials with similar band characteristics.

One-step fabrication of fiber optic SERS sensors via spark ablation.

Spark ablation, a versatile, gas-phase physical nanoparticle synthesis method was employed to fabricate fiber-optic surface enhanced Raman scattering (SERS) sensors in a simple single-step process. We demonstrate that spark-generated silver nanoparticles can be simply deposited onto a fiber tip by means of a modified low-pressure inertial impactor, thus providing significant surface enhancement for fiber-based Raman measurements. The surface morphology of the produced sensors was characterized along with the estimation of the enhancement factor and the inter- and intra-experimental variation of the measured Raman spectrum as well as the investigation of the concentration dependence of the SERS signal. The electric field enhancement over the deposited silver nanostructure was simulated in order to facilitate the better understanding of the performance of the fabricated SERS sensors. A potential application in the continuous monitoring of a target molecule was demonstrated on a simple model system.

Highly Sensitive and Reproducible SERS Substrates Based on Ordered Micropyramid Array and Silver Nanoparticles.

The construction of a highly sensitive and reproducible surface-enhanced Raman scattering (SERS) substrate is the key factor that restricts its practical application. In this paper, a three-dimensional (3D) SERS substrate based on ordered micropyramid array and silver nanoparticles (MPA/AgNPs 3D-SERS) was constructed using the roll-to-plate embossing technology and a hydrothermal method, which provided an efficient and low-cost preparation process for the SERS substrate. Using rhodamine 6G (R6G) as a probe molecule, the performance of an MPA/AgNP 3D-SERS substrate was studied in detail, whose minimum detection limit was 10-12 M and the enhancement factor was calculated as 8.8 × 109, indicating its high sensitivity. In addition, the minimum relative standard deviation (RSD) for the MPA/AgNP 3D-SERS substrate was calculated as 4.99%, and SERS performance basically had no loss after 12 days of placement, which indicated that the prepared SERS substrate had excellent stability and repeatability. At last, the thiram detection application of the MPA/AgNP 3D-SERS substrate was also investigated. The results showed that the minimum detection limit was 1 × 10-7 M, and quantitative analysis of pesticide residues could be realized. This research could provide useful guidance for the efficient and low-cost fabrication of highly sensitive and reproducible SERS substrates.