Metals Au Research Articles

Real-Time Tunable Gas Sensing Platform Based on SnO2 Nanoparticles Activated by Blue Micro-Light-Emitting Diodes

HighlightsBlue micro-light-emitting diodes (μLED)-integrated gas sensors were fabricated as monolithic structure by directly loading sensing materials onto the μLED.SnO2 nanoparticles are activated by blue μLED and exhibit outstanding sensitivity to NO2 at μ-Watt power levels.Noble metal (Au, Pd, Pt)-decorated SnO2 showed the tunable gas selectivity for 4 target gases under blue light illumination.

Experimental study of thermal transport across metal/h-BN interfaces: Comparison with metal/graphite interfaces

The continuing miniaturization of layered material electronics highlights the increasingly significant role of interfacial thermal conductance (G) in the efficient nanoscale heat dissipation in these electronics. Despite its importance, the mechanisms of thermal transport across the interfaces of layered materials and the underlying substrate remain unclear. In this work, we comprehensively investigate the interfacial thermal and phonon transport across layered-material interfaces through our ultrafast pump-probe measurements and detailed calculations on G for the interfaces of hexagonal boron nitride (h-BN), one of the most promising layered materials. We first experimentally measure Gc for interfaces between four different metals (Al, Pd, Au and Ti) and h-BN along c-axis using time-domain thermoreflectance (TDTR) from 80 to 300 K. We successfully achieve high accuracy of our measurements with uncertainty <10 % through using the carefully chosen high modulation frequency (15.6 MHz) and relatively large laser spot size (22.5 μm). We find that the measured Gc for interfaces between metals (except Al) and (100) plane of h-BN is lower than that of metal/graphite interfaces, while Gc of Al/h-BN is comparable to that of Al/graphite interfaces. Furthermore, together with our proposed anisotropic model and the diffuse mismatch model (DMM), we determine the transmission probability for the various metal/h-BN interfaces and find that the strong bonding strength enhances the phonon transmission across Ti/h-BN or Ti/graphite interfaces. Finally, we predict the orientation-dependent thermal conductance (i.e., the different interfacial thermal transport along c-axis (Gc) and in-plane (Gab) crystallographic orientations) for both metal/h-BN and metal/graphite. We find Gab between metals and (001) plane is up to 2–3 times higher than Gc. This can be attributed to the highly anisotropic elastic properties in the h-BN and graphite. This work provides important insight into the phonon transmission mechanisms across metal/h-BN interfaces, and thus contributes significantly to the thermal management of layered material electronics.

Base Metals Induced Oxygen Migration and Adjustable Performance in Multifunctional Oxide Heterojunction Devices

AbstractThe chemical and electronic interactions at metal/oxide heterojunctions is pivotal in determining the electronic properties of oxide devices utilized in microelectronics, catalysis, and photovoltaic systems. In this study, interfacial oxidation migrations within a model heterostructure system, consisting of a La0.7Sr0.3MnO3 film overlaid by various metallic (Ti, Al, Cu, Ag, and Au) ultrathin layers are systematically investigated. It is experimentally demonstrated that at elevated deposition temperature, the oxygen‐active ultrathin overlayers of base metals such as Ti and Al significantly derive oxygen from the underlying La0.7Sr0.3MnO3 film, inducing a perovskite to brownmillerite phase transition in the underlying functional oxide film. Conversely, no structural transitions are observed for La0.7Sr0.3MnO3 film when it is capped by noble metals (Au, Ag), which possess relative high oxidation formation energy. These observations are crucial for the development of novel crystalline and electronic architectures in metal/oxide heterostructures, offering a refined approach to modulate interfacial reactivity without compromising the functionality of oxide‐based heterojunction devices.

Dynamic multicolor electrochromic skin in high-brightness flexible WO3/Au asymmetric Fabry–Perot nanocavity fabricated on Nylon 66 porous substrate

Recently, the Fabry–Perot (F–P) cavity electrochromic devices, which are constructed by combining nano-size inorganic electrochromic material WO3 and reflective metal layers, have attracted considerable attention due to their potentials in the fields of dynamic multicolor displays and active camouflage. However, in the few studies that have been reported, the peak reflectance of flexible F–P cavity multicolor electrochromic devices in the visible wavelength band is generally lower than 30 %, which limits their reflective display and camouflage effects in high-brightness environments. Thus, we have combined multicolor reflective electrochromic electrodes in WO3/Au asymmetric F–P nanocavity constructed by magnetron sputtering on a Nylon 66 porous substrate with a highly transparent UV-cured gel electrolyte and a PET plastic sealing procedure. As a result, a flexible and dynamic multicolor electrochromic skin with high reflectance (Rmax＞50 %) and excellent flexibility (bending radius of 4 mm) has been fabricated. The WO3 electrochromic layer at the top works as the dynamic dielectric layer in the broadband absorption Fabry–Perot cavity, and the inert metal Au layer at the bottom works as the reflective layer. The WO3/Au asymmetric F–P cavity can acutely capture the variation in optical constants of WO3 due to the thickness change and electric-driven effects. This cavity facilitates the selective reflection and absorption of the energy distribution of the spectrum after the induced interferometric resonance. As a result, the cavity exhibits a rich array of structural colors, including ocher, taupe, yellow, orange, green, and violet. The electrochromic skin exhibits a fast switching time and maintains 99.43 % of the optical modulation amplitude (ΔR) after 110 coloring/bleaching cycles. It provides a potential option in the field of flexible high-brightness reflective displays and dynamic camouflage in the future.

Spontaneous Emulsification of Organometallic Complexes Applied to the Synthesis of Nanocapsules Active for H2 Release from Ammonia-Borane.

Herein, we achieved spontaneous emulsification of organometallic precursors to elaborate subμm metal nanocapsules after interfacial reduction. Depending on the proportion of the three components, water, solvent, and the metal precursor, either thermodynamically stable "surfactant-free microemulsions" (SFME) or metastable Ouzo emulsions are formed. We investigated the catalytic transition metals Au, Pd, and Pt, individually or combined, and stabilized by various ligands. Upon reduction of the precursors, either shells of discrete nanoparticles (NPs) or continuous shells were obtained, for the SFME and Ouzo emulsions, respectively. The Au/Pd mixed emulsions lead to a unique structural morphology, in which the Au-Pd nanoparticles are embedded in a continuous submicronic metal shell. The AuNPs are available to grow larger particles within the NP shell using a seeded growth approach. The water-stable and surfactant-free nanocapsules are appealing as catalysts, and, as such, were evaluated for the hydrolysis of ammonia-borane as a promising catalytic strategy for H2 release from an H-high-content storage material. This work establishes for the first time a genuine activity of water-compatible gold colloids for this reaction.

Engineering Partially Oxidized Gold via Oleylamine Modifier as a High-Performance Anode Catalyst in a Direct Borohydride Fuel Cell.

Direct borohydride fuel cell (DBFC) is considered a promising energy storage device due to its high theoretical cell voltage and energy density. For DBFC, an Au catalyst has been used as an anode for achieving an ideal eight-electron reaction. However, the poor activity of the Au catalyst for borohydride oxidation reaction (BOR) limits its large-scale application because of the weak BH4- adsorption. We found, by density functional theory calculations, that the adsorption of BH4- on the oxidized Au surface is stronger than that on the metallic Au surface, which can promote the process of the oxidation of BH4- to *BH3 during the BOR. Here, we reported an oleylamine-modified partially oxidized Au supported on carbon powder (AuC-OLA) with a stable oxidation state. The obtained catalyst delivered a high peak power density of 143 mW/cm2, which is 2 times higher than that of a commercial 40% AuC (Pretemek). The in situ Fourier transform infrared studies showed that the activity of AuC-OLA for BOR is ascribed to the enhanced adsorption for BH4- on the partially oxidized Au surface. These findings will promote the reasonable design of efficient Au electrocatalysts for DBFCs.

Biosynthesis of Silver and Gold Nanoparticles Using Geum urbanum L. Rhizome Extracts and Their Biological Efficiency

AbstractThe present study evaluates the biosynthesis of AgNPs and AuNPs using aqueous and ethanolic Geum urbanum L. rhizome extracts. The biosynthesized metal nanoparticles (MNPs) were characterized using UV-Vis spectroscopy, FTIR, DLS, SEM, EDX, and TEM. The UV-Vis spectra confirmed the synthesis of AgNPs and AuNPs through peaks corresponding to the surface plasmon effect of metallic Ag (400–430 nm) and Au (530–570 nm). FTIR analysis indicated that alcohols, phenols, proteins, and carbohydrates from G. urbanum rhizome extracts composition are involved in MNPs synthesis. In DLS analysis, AgNPs (34.26–41.14 nm) showed smaller hydrodynamic diameters than AuNPs (46.26–70.29 nm). At the same time, all values for zeta potential were negative, between − 21 and − 13 mV, suggesting good stabilities for all the colloidal MNPs systems in dispersion. TEM analysis showed that the biosynthesized AgNPs had a spherical morphology, while AuNPs were quasi-spherical, polygonal, and triangular. According to TEM data, AgNPs synthesized using aqueous and ethanolic G. urbanum rhizome extracts were characterized by mean diameters of 9.82 ± 3.68 and 14.29 ± 3.46 nm, while AuNPs by 15.88 ± 6.28 and 24.89 ± 10.75 nm, respectively. EDX analysis confirmed the presence of metallic Ag and Au in the MNPs composition by detecting strong signals at 3 (AgNPs) and 2.2 keW (AuNPs). In disc diffusion assay, MNPs showed good antimicrobial activity against Gram-positive (S. aureus MSSA, S. aureus MRSA, S. epidermidis) and Gram-negative (E. coli, P. aeruginosa, K. pneumoniae) bacteria and yeasts (C. albicans). AgNPs and AuNPs were also characterized by a significant antioxidant potential, evaluated through in vitro assays (lipoxygenase inhibition, DPPH radical scavenging activity, metal ion chelating activity, and hydroxyl radical scavenging assays). An overall better activity was obtained for the ethanolic G. urbanum rhizome extract and its derived AgNPs (EC50 = 34.2 ± 1.86 mg/mL in lipoxygenase inhibition assay). Therefore, the G. urbanum rhizome extracts proved to be excellent sources for biologically active AgNPs and AuNPs.

Chirality-Induced Magnet-Free Spin Generation in a Semiconductor.

Electrical generation and transduction of polarized electron spins in semiconductors (SCs) are of central interest in spintronics and quantum information science. While spin generation in SCs is frequently realized via electrical injection from a ferromagnet (FM), there are significant advantages in nonmagnetic pathways of creating spin polarization. One such pathway exploits the interplay of electron spin with chirality in electronic structures or real space. Here, utilizing chirality-induced spin selectivity (CISS), the efficient creation of spin accumulation in n-doped GaAs via electric current injection from a normal metal (Au) electrode through a self-assembled monolayer (SAM) of chiral molecules (α-helix l-polyalanine, AHPA-L), is demonstrated. The resulting spin polarization is detected as a Hanle effect in the n-GaAs, which is found to obey a distinct universal scaling with temperature and bias current consistent with chirality-induced spin accumulation. The experiment constitutes a definitive observation of CISS in a fully nonmagnetic device structure and demonstration of its ability to generate spin accumulation in a conventional SC. The results thus place key constraints on the physical mechanism of CISS and present a new scheme for magnet-free SC spintronics.

Solid Handmade Ternary Coinage Metal Mentors for Organic Bond-Making and Bond-Breaking Applications.

A comparative approach is employed for the novel synthesis of a magnetically recoverable ternary nanocomposite consisting of g-C3N4-supported Fe3O4 decorated with coinage metals (Au, Ag, and Cu). This synthesis is achieved through a straightforward and convenient one-step grinding protocol. In situ, the nanoparticles were grown on the g-C3N4-assist Fe3O4 matrix (GCFM), and the agglomeration of these nanoparticles on the matrix creates a pathway for the formation of the nanocomposite (NC). The as-formed CNC was confirmed with the help of characterization analyses, namely XRD, FT-IR, HR-TEM, FE-SEM, XPS, VSM, UV-vis, and NMR studies. Together with NPs and GCFM, with the quantum consequence, the activity of the NC shows better electron transfer via transfer of electrons, which grabs tremendous attention toward it, resulting in enhanced plausible photocatalytic degradation toward pharmaceutical compounds, dyes, and anthropogenic pollutants. The activity of the C-NC hikes at 88% for ciprofloxacin (CX) and 90% for paracetamol (PM); furthermore, the activity of the C-NC hikes at 88% and 87% for xylene Cyanol FF (XCF) and malachite green (MLG), respectively. Interestingly, an added advantage is the formation of a C-C bond (homocoupling reaction) in phenylboronic acid (PA) via a greener solvent under ambient conditions. The yield percentage of the conversion product shows satisfactory results, and its reproducibility was good for the prepared ternary NC. The conversion treatment of anthropogenic pollutants, namely 4-nitrophenol, grasps a high percentage (98%). In addition, the NC shows good activity toward both types of bacteria. The reproducibility of the composite also shows virtuous activity against pharmaceutical as well as toxic contaminants. The as-prepared CNC was specifically engineered to perform both bond formation and bond cleavage of organic molecules under ambient conditions for multiple cycles.

THE INVESTIGATION OF ALTERNATIVE METALS OF Au, Ag, Al AND Cu FOR BACK CONTACT USED IN FABRICATED ZnS/SnS HETEROJUNCTION FOR SOLAR CELL APPLICATION

THE INVESTIGATION OF ALTERNATIVE METALS OF Au, Ag, Al AND Cu FOR BACK CONTACT USED IN FABRICATED ZnS/SnS HETEROJUNCTION FOR SOLAR CELL APPLICATION

Dual External Field Strategy in Regulating the Superhalogen Characteristics of the Non-Noble Metal Constituted Tantalum Oxide Clusters.

The identification of the non-noble metal constituted TaO cluster as a potential analogue to the noble metal Au is significant for the development of tailored materials. It leverages the superatom concept to engineer properties with precision. However, the impact of incrementally integrating TaO units on the electronic configurations and properties within larger TaO-based clusters remains to be elucidated. By employing the density functional theory calculations, the global minima and low-lying isomers of the TanOn (n = 2-5) clusters were determined, and their structural evolution was disclosed. In the cluster series, Ta5O5 was found to possess the highest electron affinity (EA) with a value of 2.14 eV, based on which a dual external field (DEF) strategy was applied to regulate the electronic property of the cluster. Initially, the electron-withdrawing CO ligand was affixed to Ta5O5, followed by the application of an oriented external electric field (OEEF). The CO ligation was found to be able to enhance the Ta5O5 cluster's electron capture capability by adjusting its electron energy levels, with the EA of Ta5O5(CO)4 peaking at 2.58 eV. Subsequently, the introduction of OEEF further elevated the EA of the CO-ligated cluster. Notably, OEEF, when applied along the +x axis, was observed to sharply increase the EA to 3.26 eV, meeting the criteria for superhalogens. The enhancement of EA in response to OEEF intensity can be quantified as a functional relationship. This finding highlights the advantage of OEEF over conventional methods, demonstrating its capacity for precise and continuous modulation of cluster EAs. Consequently, this research has adeptly transformed tantalum oxide clusters into superhalogen structures, underscoring the effectiveness of the DEF strategy in augmenting cluster EAs and its promise as a viable tool for the creation of superhalogens.

Sequential Selective Dissolution of Coinage Metals in Recyclable Ionic Media.

Coinage metals Cu, Ag, and Au are essential for modern electronics and their recycling from waste materials is becoming increasingly important to guarantee the security of their supply. Designing new sustainable and selective procedures that would substitute currently used processes is crucial. Here, we describe an unprecedented approach for the sequential dissolution of single metals from Cu, Ag, and Au mixtures using biomass-derived ionic solvents and green oxidants. First, Cu can be selectively dissolved in the presence of Ag and Au with a choline chloride/urea/H2O2 mixture, followed by the dissolution of Ag in lactic acid/H2O2. Finally, the metallic Au, which is not soluble in either solution above, is dissolved in choline chloride/urea/Oxone. Subsequently, the metals were simply and quantitatively recovered from dissolutions, and the solvents were recycled and reused. The applicability of the developed approach was demonstrated by recovering metals from electronic waste substrates such as printed circuit boards, gold fingers, and solar panels. The dissolution reactions and selectivity were explored with different analytical techniques and DFT calculations. We anticipate our approach will pave a new way for the contemporary and sustainable recycling of multi-metal waste substrates.

Sequential Selective Dissolution of Coinage Metals in Recyclable Ionic Media

AbstractCoinage metals Cu, Ag, and Au are essential for modern electronics and their recycling from waste materials is becoming increasingly important to guarantee the security of their supply. Designing new sustainable and selective procedures that would substitute currently used processes is crucial. Here, we describe an unprecedented approach for the sequential dissolution of single metals from Cu, Ag, and Au mixtures using biomass‐derived ionic solvents and green oxidants. First, Cu can be selectively dissolved in the presence of Ag and Au with a choline chloride/urea/H2O2 mixture, followed by the dissolution of Ag in lactic acid/H2O2. Finally, the metallic Au, which is not soluble in either solution above, is dissolved in choline chloride/urea/Oxone. Subsequently, the metals were simply and quantitatively recovered from dissolutions, and the solvents were recycled and reused. The applicability of the developed approach was demonstrated by recovering metals from electronic waste substrates such as printed circuit boards, gold fingers, and solar panels. The dissolution reactions and selectivity were explored with different analytical techniques and DFT calculations. We anticipate our approach will pave a new way for the contemporary and sustainable recycling of multi‐metal waste substrates.

Probe Beam Deflection study of Au Nanoparticles Supported into TiO2 Mesoporous Films

Mesoporous thin films modified with nanoparticles of metal (Au) have been used for the fabrication of an ultra‐microelectrode array (UMEA). For the first time, UMEAs were studied using probe beam deflection (PBD) and cyclic voltammetry. The study was carried out using the [Fe(CN)6]3‐/ [Fe(CN)6]4‐ couple as a redox probe. The electrochemical response is that of an array of nanoelectrodes. The effects of scan rate on the current and PBD signal profiles are discussed in the context of mass transport within the pores and at the solution‐electrode interface. The study suggests that the combination of PBD and CV allows a better understanding on the mass transport phenomena in this type of UMEAs of complex architecture.

Investigation on New Orthorhombic AuR (R = Ho, Tb, Y) and PdR (R = Eu,Gd,Y) Equiatomic Compounds’ Structural, Vibrational, and Thermal Properties

Herein, first‐principles calculations using the planewave pseudopotential technique to assess the structural, elastic, vibrational, and thermal properties of equiatomic intermetallic consisting of rare earth elements (Eu, Gd, Ho, Y, Tb) and noble metals (Au, Pd) are used. This approach involves optimizing novel orthorhombic structures by minimizing the total energy and interatomic forces. The computed structural features for the investigated intermetallics closely align with available experimental data. By evaluating stability criteria using the derived elastic constants, this analysis verifies the stability of these intermetallics in an orthorhombic structure at zero pressure. Furthermore, various mechanical parameters are determined, including (Young's E, bulk B, shear G, Pugh's) modulus, Poisson's ratio, and anisotropy factors. These parameters are derived from the computed single‐crystal elastic constants using the Voigt–Reuss–Hill average method. This investigation delves into the relationship between temperature and variations in heat capacity at constant volume (Cv) and entropy (S), comprehensively exploring these variables.

Revealing pretreatment-induced structure evolution of LaFeO3 supported Au catalyst for CO oxidation reaction

Heterogeneous catalysts play a pivotal role in the chemical industry. Pretreatments in reducing or oxidizing atmospheres have been widely utilized to alter the structure of heterogeneous catalysts, with the aim of enhancing their catalytic performance. However, the pretreatment atmosphere can, at times, trigger unexpected structural changes in catalysts and even lead to catalytic degradation. Hence, the selection of an appropriate pretreatment atmosphere for heterogeneous catalysts is critical and requires a clear understanding of their corresponding dynamic evolution to improve their performance in a targeted manner, particularly relying on in situ observation. In this study, a promising CO oxidation catalyst, LaFeO3 supported Au nanoparticles (Au/LFO) is selected, and the influence of the pretreatments in different atmospheres on Au/LFO is explored by using in situ transmission electron microscopy (TEM) and density functional theory (DFT) calculation. Our findings reveal that the commonly used reducing pretreatment for noble-metal catalysts triggered strong metal-support interactions in Au/LFO, suppressing its CO adsorption performance. In contrast, the oxidizing pretreatment preserves the metallic Au and the metal/support interface as efficient active sites to promote CO oxidation activity and stability simultaneously. This work discloses the structure evolution at the interface between noble metals and perovskite oxide supports in response to different gas phase treatments and clarifies their structure-property relationships.

Preparation of Au–Ni bimetallic-coated monodisperse PS@Ni/Au microspheres with excellent conductivity and their application in acrylate-based anisotropic conductive adhesives

Anisotropic conductive adhesives (ACAs) provide an efficient and easy method of interconnecting small electronic devices compared to traditional solder joint connections. In this paper, PS@Ni/Au metal composite microspheres with excellent electrical conductivity in the size of 2.76 μm were prepared by chemical plating technique and in situ redox method. The effects of PS@Ni metal composite microspheres with different shell thicknesses and compactness on the preparation of Ni–Au bimetallic shell layers were investigated, and the effects of different Au:PS@Ni mass ratios on the volumetric conductivity of PS@Ni/Au metal composite microspheres were discussed. The composite microspheres were characterized by scanning electron microscopy (SEM), thermogravimetric analysis (TGA), energy spectrometry (EDS), and X-ray diffraction (XRD). Thick and compact Ni metal shells are the key to preparing PS@Ni/Au metal composite microspheres with the complete degree of encapsulation. When the mass ratio of Au:PS@Ni was 0.15:1, the conductivity was as high as 1.3 × 105 S cm−1. The acrylate pressure-sensitive containing 3.1–8.3 vol% conductive particles presented an obvious anisotropy. When the mass ratio of the conductive particles was higher than 8.3 vol%, the conductive particles appear to be significantly aggregated. The research ideas and methods have great application potential for replacing the traditional solder joint connections.

Improving photocatalytic efficiency of ZnO nanoflowers through gold incorporation for Rhodamine B photodegradation

In this study, we reported the synthesis and characterization of Au-doped ZnO hybrid nanostructures via a wet chemical approach and assessed their photocatalytic efficiency for the removal of Rhodamine (Rh–B). X-ray powder diffraction (XRD) has been done to verify the crystal structure, i.e. phase identification, crystallite size, texture, stress, and strain. The XRD patterns demonstrate that the wurtzite structure has been retained and that Au nanoparticles were effectively ingested into the ZnO nanoflowers lattice. This demonstrates that Au nanoparticles are effectively absorbed into the ZnO nanoflowers lattice, considering that peaks shifted in the direction of smaller Bragg's angles. As a result, the size of the crystallites increases from (20.7–25.3) nm, and their microstrain decreases from (0.92–0.72) x 10−3 A0 for pure-ZnO to Au-doped ZnO heterostructures, respectively. Scanning Electron Microscopy (SEM) investigation reveals flower-like structures of pure ZnO while a further closed look indicates that these flowers are made up of a variety of oriented, thorn-like branched NWs with diameters ranging from (50–90) nm and lengths ranging from a few microns. The corresponding EDS evaluation of pure ZnO nanoflowers and Au-doped ZnO heterostructures clearly shows that the noble metal Au NPs are deposited, and enormously safeguard the surface of ZnO nanoflowers. Reducing the Au-doped ZnO band gap which generated a red shift in light absorption, was confirmed by the PL spectra which in turn increased the photocatalytic efficiency and reduced the dye degradation time of Rh–B. The photocatalytic ability of Au-doped ZnO heterostructures considerably increased the photodegradation efficiency of Rh–B molecules from 28 min for pure ZnO to 10 min for Au-doped ZnO heterostructures. Due to their wide surface area and distinct morphology as compared to pure ZnO nanoflowers.

Investigation of transition metals (Ag, Au, Pd, Pt and Ru)-doped boron nitride nanocarrier for drug delivery process of favipiravir: An intuition from DFT

The scientific community is keenly interested in developing efficient drug delivery systems using B12N12, particularly for carrying anti-influenza drugs like Favipiravir (FAV) against life-threatening RNA virus infections. This study delves into the exploration of transition metal-doped B12N12 nanostructures as potential carriers for drug delivery. Using density functional theory (DFT) calculations at the wB97XD/6-311++G(d,p) level of theory, the research specifically investigates the efficacy of transition metal-doped (Ag, Au, Pd, Pt, and Ru) boron nitride nanocages as effective agents for delivering the FAV drug. The systematic exploration of adsorption energy, electronic features, and thermodynamic properties (ΔG and ΔH) of FAV interacting with B12N12 and transition metals-doped (Ag, Au, Pd, Pt, and Ru) nanocages reveals a significant improvement in drug-carrying capacity, marked by notable physisorption capabilities as evident from negative adsorption energies. The confirmation of FAV’s interaction with doped-B12N12 nanocages was supported by a comprehensive analysis encompassing frontier molecular orbitals, adsorption energy, fractional charge transfer, molecular electrostatic potential (MEP), non-covalent interaction(NCI), and natural bond orbital (NBO) assessments. The frontier molecular orbitals (FMO), density of states (DOS), and natural bond orbital (NBO) analyses reveal nanocages as charge acceptors and drug as charge donor during the adsorption process. The band gap energies decreased upon FAV adsorption on both pristine and doped nanocages except Au and Pd doped nanocages. Among the doped cases, the Ag-doped B12N12 nanocage exhibits the most significant reduction in the HOMO-LUMO energy difference, and therefore should be the most effective nanocarrier for FAV. The results of this study offer novel insights for the development of B12N12 nanocages as carriers for the FAV drug.

Plastic Optical Fiber Sensor for Sensing Refractive Index of Citric Acid Based on Surface Plasmon Resonance

Using plastic optical fiber with multimode (MPOF), an optical fiber sensor (OFS) based on Surface Plasmon Resonance (SP.R) was created and put into use. The sensor is used to determine performance metrics including signal to noiseratio (SNR), Sensitivity(S), Figure of merit(FOM), and Resolution(R) in addition to detecting and measuring the refractive index of different concentrations of citric acid. With a sensing region exposed to 50 nm of gold (Au) metal layer, the optical fiber-based SPR sensor was found to have a sensitivity value of 1250nm, an SNR of 0.27, a figure of merit of 93.3 and a resolution 8×10-4.