Adaptive Signal Modulation Evolved by the Inherent Nonlinearity of Phase-Change Quantum-Dot String.

To simulate a topological neural network handling weak signals via stochastic resonance (SR), it is necessary to introduce an inherent nonlinearity into nanoscale devices. We use the self-assembly method to successfully fabricate a phase-change quantum-dot string (PCQDS) crossing Pd/Nb:AlNO/AlNO/Nb:AlNO/Pd multilayer. The inherent nonlinearity of phase change couples with electron tunneling so that PCQDS responds to a long signal sequence in a modulated output style, in which the pulse pattern evolves to that enveloped by two sets of periodic wave characterized by neural action potential. We establish an SR mode consisting of several two-state systems in which dissipative tunneling is coupled to environment. Size oscillations owing to NbO QDs adaptively adjust barriers and wells, such that tunneling can be periodically modulated by either asymmetric energy or local temperature. When the external periodic signals are applied, the system first follows the forcing frequency. Subsequently, certain PCQDs oscillate independently and consecutively to produce complicated frequency and amplitude modulations.

Theoretical study on the mechanism of alcohol photooxidation on Nb2O5 surface.

Theoretical modeling of the solid-state photocatalysis is one of the important issues as various useful photocatalysts have been developed to date. In this work, we investigated the mechanism of the alcohol photooxidation on niobium oxide (Nb2O5) which was experimentally developed, using the density functional theory (DFT)/time-dependent (TD)DFT calculations based on the cluster model. The alcohol adsorption and the first hydrogen transfer from hydroxy group to surface occur in the ground state, while the second hydrogen transfer from CH proceeds in the excited states during the photoirradiation of UV or visible light. The spin crossing was identified and the low-lying triplet states were solved for the reaction pathway. The photoabsorption in the visible light region was characterized as the charge transfer transition from O 2p of alcohol to Nb 4d of the Nb2O5 surface. The spin density and the natural population analysis indicated the generation of spin density in the moiety of carbonyl compound and its dissipation to the interface of the surface, which partly explains the electron paramagnetic resonance measurement. It was confirmed that the rate determining step is the desorption of carbonyl compound and water molecule in agreement with the experimental rate equation analysis. The present findings with the theoretical modeling will provide useful information for the further studies of the solid-state photocatalysis.

Wireless Alerts and Data Monitoring from BNNO-MWCNTs/PDMS Composite Film-Based TENG Integrated Inhaler for Smart Healthcare Application.

In recent years, the implementation of energy-harvesting technology in medical equipment has attracted significant interest owing to its potential for self-powered and smart healthcare systems. Herein, the integration of a triboelectric nanogenerator (TENG) is proposed into an inhaler for energy-harvesting and smart inhalation monitoring. For this initially, barium sodium niobium oxide (Ba2NaNb5O15) microparticles (BNNO MPs) are synthesized via a facile solid-state synthesis process. The BNNO MPs with ferroelectricity and high dielectric constant are incorporated into polydimethylsiloxane (PDMS) polymer to make BNNO/PDMS composite films (CFs) for TENG fabrication. The fabricated TENG is operated in a contact-separation mode, and its electrical output performance is compared to establish the optimal BNNO MPs concentration. Furthermore, multi-wall carbon nanotubes (MWCNTs), a conductive filler material, are used to enhance the electrical conductivity of the CFs, thereby improving the electrical output performance of the TENG. The robustness/durability of the proposed BNNO-MWCNTs/PDMS CF-based TENG are investigated. The proposed TENG device is demonstrated to harvest electrical energy from mechanical motions via regular human activities and power portable electronics. The TENG is integrated into the inhaler casing to count the number of sprays remaining in the canister, send the notification to a smartphone via Bluetooth, and harvest energy.

High Amplitude Spike Generator in Au Nanodot-Incorporated NbOx Mott Memristor.

NbOx-based Mott memristors exhibit fast threshold switching behaviors, making them suitable for spike generators in neuromorphic computing and stochastic clock generators in security devices. In these applications, a high output spike amplitude is necessary for threshold level control and accurate signal detection. Here, we propose a materialwise solution to obtain the high amplitude spikes by inserting Au nanodots into the NbOx device. The Au nanodots enable increasing the threshold voltage by modulating the oxygen contents at the electrode-oxide interface, providing a higher ON current compared to nanodot-free NbOx devices. Also, the reduction of the local switching region volume decreases the thermal capacitance of the system, allowing the maximum spike amplitude generation. Consequently, the Au nanodot incorporation increases the spike amplitude of the NbOx device by 6 times, without any additional external circuit elements. The results are systematically supported by both a numerical model and a finite-element-method-based multiphysics model.

Water-Tolerant Superbase Polyoxometalate [H2(Nb6O19)]6- for Homogeneous Catalysis.

Here, doubly protonated Lindqvist-type niobium oxide cluster [H2(Nb6O19)]6-, fabricated by microwave-assisted hydrothermal synthesis, exhibited superbase catalysis for Knoevenagel and crossed aldol condensation reactions accompanied by activating C-H bond with pKa >26 and proton abstraction from a base indicator with pKa=26.5. Surprisingly, [H2(Nb6O19)]6- exhibited water-tolerant superbase properties for Knoevenagel and crossed aldol condensation reactions in the presence of water, although it is well known that the strong basicity of metal oxides and organic superbase is typically lost by the adsorption of water. Density functional theory calculation revealed that the basic surface oxygens that share the corner of NbO6 units in [H2(Nb6O19)]8- maintained the negative charges even after proton adsorption. This proton capacity and the presence of un-protonated basic sites led to the water tolerance of the superbase catalysis.

Niobium Oxide Anode with Lattice Structure Self-Optimization for High-Power and Nearly Zero-Degeneration Battery Operation.

Li+ insertion-induced structure transformation in crystalline electrodes vitally influence the energy density and cycle life of secondary lithium-ion battery. However, the influence mechanism of structure transformation-induced Li+ migration on the electrochemical performance of micro-crystal materials is still unclear and the strategy to profit from such structure transformation remains exploited. Here, an interesting self-optimization of structure evolution during electrochemical cycling in Nb2 O5 micro-crystal with rich domain boundaries is demonstrated, which greatly improves the charge transfer property and mechanical strength. The lattice rearrangement activates the Li+ diffusion kinetics and hinders the particle crack, thus enabling a nearly zero-degeneration operation after 8000 cycles. Full cell paired with lithium cobalt oxides displays an exceptionally high capacity of 176 mA h g-1 at 8000 mA g-1 and excellent long-term durability at 6000 mA g-1 with 63% capacity retention over 2000 cycles. Interestingly, a unique fingerprint based on the intensity ratio of two X-ray diffraction peaks is successfully extracted as a measure of Nb2 O5 electrochemical performance. The structure self-optimization for fast charge transfer and high mechanical strength exemplifies a new battery electrode design concept and opens up a vast space of strategy to develop high-performance lithium-ion batteries with high energy density and ultra-long cycle life.

Alcohol Vapor Sensor Based on Quasi-2D Nb2O5 Derived from Oxidized Nb2CTz MXenes.

MXenes are two-dimensional (2D) materials with a great potential for sensor applications due to their high aspect ratio and fully functionalized surface that can be tuned for specific gas adsorption. Here, we demonstrate that the Nb2CTz-based sensor exhibits high performance towards alcohol vapors at temperatures up to 300-350 °C, with the best sensitivity towards ethanol. We attribute the observed remarkable chemiresistive effect of this material to the formation of quasi-2D Nb2O5 sheets as the result of the oxidation of Nb-based MXenes. These findings are supported by synchrotron X-ray photoelectron spectroscopy studies together with X-ray diffraction and electron microscopy observations. For analyte selectivity, we employ a multisensor approach where the gas recognition is achieved by linear discriminant analysis of the vector response of the on-chip sensor array. The reported protocol demonstrates that MXene layers are efficient precursors for the derivation of 2D oxide architectures, which are suitable for developing gas sensors and sensor arrays.

Extensive Investigation on the Effect of Niobium Insertion on the Physical and Biological Properties of 45S5 Bioactive Glass for Dental Implant.

Dental implants have emerged as one of the most consistent and predictable treatments in the oral surgery field. However, the placement of the implant is sometimes associated with bacterial infection leading to its loss. In this work, we intend to solve this problem through the development of a biomaterial for implant coatings based on 45S5 Bioglass® modified with different amounts of niobium pentoxide (Nb2O5). The structural feature of the glasses, assessed by XRD and FTIR, did not change in spite of Nb2O5 incorporation. The Raman spectra reveal the Nb2O5 incorporation related to the appearance of NbO4 and NbO6 structural units. Since the electrical characteristics of these biomaterials influence their osseointegration ability, AC and DC electrical conductivity were studied by impedance spectroscopy, in the frequency range of 102-106 Hz and temperature range of 200-400 K. The cytotoxicity of glasses was evaluated using the osteosarcoma Saos-2 cells line. The in vitro bioactivity studies and the antibacterial tests against Gram-positive and Gram-negative bacteria revealed that the samples loaded with 2 mol% Nb2O5 had the highest bioactivity and greatest antibacterial effect. Overall, the results showed that the modified 45S5 bioactive glasses can be used as an antibacterial coating material for implants, with high bioactivity, being also non-cytotoxic to mammalian cells.

A Nonstoichiometric Niobium Oxide/Graphite Composite for Fast-Charge Lithium-Ion Batteries.

Electrification of transportation has spurred the development of fast-charge energy storage devices. High-power lithium-ion batteries require electrode materials that can store lithium quickly and reversibly. Herein, the design and construction of a Nb2 O5-δ /graphite composite electrode that demonstrates remarkable rate capability and durability are reported. The presence of graphite enables the formation of a dominant Nb12 O29 phase and a minor T-Nb2 O5 phase. The high rate capability is attributed to the enhanced electronic conductivity and lower energy barriers for fast lithium diffusion in both Nb12 O29 and T-Nb2 O5 , as unraveled by density functional theory calculations. The excellent durability or long cycling life is originated from the coherent redox behavior of Nb ions and high reversibility of lithium intercalation/deintercalation, as revealed by operando X-ray absorption spectroscopy analysis. When tested in a half-cell at high cycling rates, the composite electrode delivers a specific capability of 120 mAh g-1 at 80 C and retains over 150 mAh g-1 after 2000 cycles at 30 C, implying that it is a highly promising anode material for fast-charging lithium-ion batteries.

A Paradigmatic Approach to Find the Valency-Based K-Banhatti and Redefined Zagreb Entropy for Niobium Oxide and a Metal-Organic Framework.

Entropy is a thermodynamic function in chemistry that reflects the randomness and disorder of molecules in a particular system or process based on the number of alternative configurations accessible to them. Distance-based entropy is used to solve a variety of difficulties in biology, chemical graph theory, organic and inorganic chemistry, and other fields. In this article, the characterization of the crystal structure of niobium oxide and a metal-organic framework is investigated. We also use the information function to compute entropies by building these structures with degree-based indices including the K-Banhatti indices, the first redefined Zagreb index, the second redefined Zagreb index, the third redefined Zagreb index, and the atom-bond sum connectivity index.

Simultaneous removal of NO and dichloromethane (CH2Cl2) over Nb-loaded cerium nanotubes catalyst.

Herein, a series of niobium oxide supported cerium nanotubes (CeNTs) catalysts with different loading amount of Nb2O5 (0-10 wt.%) were prepared and used for selective catalytic reduction of NOx with NH3 (NH3-SCR) in the presence of CH2Cl2. Commercial V2O5-WO3-TiO2 catalyst was also prepared for comparison. The physcial properties and chemical properties of the Nb2O5 loaded cerium nanotubes catalysts were investigated by X-ray diffractometer, Transmission electron microscope, Brunauer-Emmett-Teller specific surface area, H2-temperature programmed reduction, NH3-temperature programmed desorption and X-ray photoelectron spectroscopy. The experiment results showed that the loading amount of Nb2O5 had a significant effect on the catalytic performance of the catalysts. 10 wt.% Nb-CeNTs catalyst presented the best NH3-SCR performance and degradation efficiency of CH2Cl2 among the prepared catalysts, due to its superior redox capability, abundant surface oxygen species and acid sites, the interaction between Nb and Ce, higher ratio of Nb4+/(Nb5++ Nb4+) and Ce3+/(Ce3+ + Ce4+), as well as the special tubular structure of cerium nanotube. This study may provide a practical approach for the design and synthesis of SCR catalysts for the simultaneously removal NOx and chlorinated volatile organic compounds (CVOCs) emitted from the stationary industrial sources.

Breaking the Quantum PIN Code of Atomic Synapses.

Atomic synapses represent a special class of memristors whose operation relies on the formation of metallic nanofilaments bridging two electrodes across an insulator. Due to the magnifying effect of this narrowest cross section on the device conductance, a nanometer-scale displacement of a few atoms grants access to various resistive states at ultimately low energy costs, satisfying the fundamental requirements of neuromorphic computing hardware. However, device engineering lacks the complete quantum characterization of such filamentary conductance. Here we analyze multiple Andreev reflection processes emerging at the filament terminals when superconducting electrodes are utilized. Thereby, the quantum PIN code, i.e., the transmission probabilities of each individual conduction channel contributing to the conductance of the nanojunctions, is revealed. Our measurements on Nb2O5 resistive switching junctions provide profound experimental evidence that the onset of the high conductance ON state is manifested via the formation of truly atomic-sized metallic filaments.

One-pot synthesis of acid-base bifunctional catalysts for biodiesel production.

Acid-base bifunctional heterogeneous solid catalysts, known as the active site with base-acid properties, exhibited relatively good performance on the transesterification for soybean oil for green fuel production. We investigated the use of niobium and three alkali metal oxides (Li, Na, and K) as MyNbOX (M = Li, Na, K) composite as acid-base catalysts for biodiesel production. MyNbOX catalysts were prepared using a simple solid-state reaction, mixing, and grinding niobium dioxide with alkali metal carbonates calcined at 800 °C in air for 4 h. XRD, BET, FE-SEM, TEM and TPD techniques were employed for catalysts characterization. The highest biodiesel yield (98.08%) was achieved under the transesterification condition of 65 °C, 6 h, 24 methanol/oil molar ratio and 2 wt% of LiNbO3 as the catalyst. The results showed that LiNbO3 could be efficiently reused at least 10 cycles with an insignificant reduction in the biodiesel yield. The physicochemical properties of the biodiesel were further studied and compared with the ASTM and the EN biodiesel specifications. The results showed that the properties of the biodiesel produced complied with the international standard specifications.

Optimized Nb-Based Zeolites as Catalysts for the Synthesis of Succinic Acid and FDCA.

Nb(0.05 moles%)-zeolites prepared via a post synthesis methodology (BEA, Y, ZSM-5), or a direct sol-gel method (Silicalite-1) were investigated in the hydroxymethylfurfural (HMF) oxidation by both molecular oxygen, in aqueous phase, and organic peroxides, in acetonitrile. The catalysts prepared through the post synthesis methodology (i.e., Nb-Y5, Nb-ZSM25, Nb-Y30, Nb-BEA12, and Nb-BEA18) displayed a mono-modal mesoporosity and contain residual framework Al-acid sites, extra framework isolated Nb(V)O-H and Nb2O5 pore-encapsulated clusters, while Nb-Sil-1, prepared through a direct synthesis procedure, displayed a bimodal micro-mesoporosity and contains only -Nb=O species. These modified zeolites behave as efficient catalysts in both HMF/glucose wet oxidation to succinic acid (SA) and HMF oxidation with organic peroxides to the 2,5-furandicarboxylic acid (FDCA). The catalytic behavior of these catalysts, in terms of conversion and especially the selectivity, mainly depended on the base/acid sites ratio. Thus, the HMF/glucose wet oxidation occurred with a total conversion and a selectivity to SA of 37.7% (from HMF) or 69.1% (from glucose) on the Nb-Y5 catalyst, i.e., the one with the lowest base/acid sites ratio. On the contrary, the catalysts with the highest base/acid sites ratio, i.e., Nb-ZSM25 and Nb-Sil-1, afforded a high catalytic efficiency in HMF oxidation with organic peroxides, in which FDCA was produced with selectivities of 61.3-63.8% for an HMF conversion of 96.7-99.0%.

One-Step Plasma Synthesis of Nb2 O5 Nanofibers and their Enhanced Photocatalytic activity.

Fiberform nanostructured niobium (Nb) was fabricated by one step helium (He) plasma irradiation. He ion implantation formed He nano-bubbles on a Nb plate and led to formation of protrusions while migrating in Nb matrix; fiberform nanostructures (FN) were grown when the fluence became high (>1026  m-2 ). The necessary conditions for the formation of Nb FN were revealed to be the surface temperature range of 900-1100 K and the incident ion energy higher than 70 eV. The sample was oxidized at 573-773 K in an air atmosphere, and Pt nanoparticles were photo-deposited on the Nb2 O5 samples. The surface was analyzed by scanning electron microscope, transmission electron microscope, x-ray photoelectron spectroscopy, and ultraviolet-visible spectrophotometry. Photocatalytic activity of the fabricated materials was studied using methylene blue (MB) decolorization process. An enhanced photocatalytic performance was identified on FN Nb2 O5 substrate with Pt deposition.

NH3-SCR performance and the resistance to SO2 for Nb doped vanadium based catalyst at low temperatures.

Niobium oxide as the promoter was doped in the V/WTi catalyst for the selective catalytic reduction (SCR) of NO. The results showed that the addition of Nb2O5 could improve the SCR activity at low temperatures and the 6wt.% additive was an appropriate dosage. The enhanced reaction activity of adsorbed ammonia species and the improved dispersion of vanadium oxide might be the reasons for the elevation of SCR activity at low temperatures. The resistances to SO2 of 3V6Nb/WTi catalyst at different temperatures were investigated. FTIR spectrum and TG-FTIR result indicated that the deposition of ammonium sulfate species was the main deactivation reason at low temperatures, which still exhibited the reactivity with NO above 200°C on the catalyst surface. There was a synergistic effect among NH3, H2O and SO2 that NH3 and H2O both accelerated the catalyst deactivation in the presence of SO2 at 175°C. The thermal treatment at 400°C could regenerate the deactivated catalyst and get SCR activity recovered. The particle and monolith catalysts both kept stable NOx conversion at 225°C with high concentration of H2O and SO2 during the long time tests.

Nb2O5 nanowires in-situ grown on carbon fiber: A high-efficiency material for the photocatalytic reduction of Cr(VI).

Niobium oxide nanowire-deposited carbon fiber (CF) samples were prepared using a hydrothermal method with amorphous Nb2O5·nH2O as precursor. The physical properties of the samples were characterized by means of numerous techniques, including X-ray diffraction (XRD), energy-dispersive spectroscopy (EDS), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected-area electron diffraction (SAED), UV-visible spectroscopy (UV-vis), N2 adsorption-desorption, Fourier transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy. The efficiency for the removal of Cr(VI) was determined. Parameters such as pH value and initial Cr(VI) concentration could influence the Cr(VI) removal efficiency or adsorption capacity of the Nb2O5/carbon fiber sample obtained after hydrothermal treatment at 160°C for 14hr. The maximal Cr(VI) adsorption capacity of the Nb2O5 nanowire/CF sample was 115mg/g. This Nb2O5/CF sample also showed excellent photocatalytic activity and stability for the reduction of Cr(VI) under UV-light irradiation: the Cr(VI) removal efficiency reached 99.9% after UV-light irradiation for 1hr and there was no significant decrease in photocatalytic performance after the use of the sample for 10 repeated cycles. Such excellent Cr(VI) adsorption capacity and photocatalytic performance was related to its high surface area, abundant surface hydroxyl groups, and good UV-light absorption ability.

Removal of doxorubicin hydrochloride and crystal violet from aqueous solutions using spray-dried niobium oxide coated with chitosan-activated carbon: Experimental and DFT calculations.

Spray-dried niobium oxide coated with chitosan-activated carbon (NIC) was synthesized and used to remove doxorubicin hydrochloride and crystal violet from aqueous solutions under different parameters such as solution pH (2, 4, 6, and 8), contact time (1 to 9 h), initial concentration (20 to 200 mg L-1), and competing ions (0.1 M of CaCl2 and NaCl). The addition of 5 % chitosan-activated carbon to the matrix of niobium oxide slightly increased the specific surface area from 26 to 30 m2 g-1, with the introduction of a carboxylic functional group. This led to an increase in the amount of adsorbed doxorubicin hydrochloride (DOH) from 30 to 44 mg g-1 and that of crystal violet (CV) from 15 to 32 mg g-1 from the initial respective 100 mg L-1 at pH 8. The data from the concentration study fitted into Liu isotherm having adsorption capacity of 128 and 57 mg g-1 for DOH and CV respectively, while pseudo first and second order are more suitable for adsorption kinetics. The additional functional groups on the IR spectrum of NIC after the adsorption of DOH and CV confirmed the interaction between NIC and the adsorbates' molecules. The mechanism of adsorption was supported by DFT calculations.

Defective state regulation of Ru-doped Nb2O5 boosts fast lithium storage.

Breaking through the limitations of lithium-ion transmission is imperative for high-power rechargeable batteries. As a promising anode material for fast-charging lithium-ion batteries (LIBs), niobium pentoxide (Nb2O5) has garnered considerable research attention due to its exceptional rate performance, stable lithium storage performance and high safety attributes. Nevertheless, the limited intrinsic conductivity of Nb2O5, coupled with its structural degradation during the cycling process, imposes constraints on its viability as a commercially viable electrode material. Herein, a ruthenium (Ru) doping method is employed to regulate the oxygen defects and the interlayer spacing of the tetragonal Nb2O5 (M-Nb2O5), offering superior reaction kinetics, higher stability for lithium storage sites and more unobstructed lithium-ion transport channels. Ru-doped Nb2O5 (RNO) manifests excellent electrochemical properties, including remarkable rate capacity (166 mAh/g at 80C), reversible capacity (246.98 mAh/g at 0.5C), improved initial Coulombic efficiency (95.77 % compared to 81.44 % of the pure sample) and cycling stability (maintaining a capacity of 113.5 mAh/g at 10C for 2,000 cycles). The enhancement mechanism of Ru doping on the structural stability and ion transport kinetics in tetragonal Nb2O5 is comprehensively elucidated through diverse electrochemical analyses and in-situ techniques.

Extraordinary Enhancement of Nonlinear Optical Interaction in NbOBr2 Microcavities.

2D materials are burgeoning as promising candidates for investigating nonlinear optical effects due to high nonlinear susceptibilities, broadband optical response, and tunable nonlinearity. However, most 2D materials suffer from poor nonlinear conversion efficiencies, resulting from reduced light-matter interactions and lack of phase matching at atomic thicknesses. Herein, a new 2D nonlinear material, niobium oxide dibromide (NbOBr2) is reported, featuring strong and anisotropic optical nonlinearities with scalable nonlinear intensity. Furthermore, Fabry-Pérot (F-P) microcavities are constructed by coupling NbOBr2 with air holes in silicon. Remarkable enhancement factors of ≈630 times in second harmonic generation (SHG) and 210 times in third harmonic generation (THG) are achieved on cavity at the resonance wavelength of 1500 nm. Notably, the cavity enhancement effect exhibits strong anisotropic feature tunable with pump wavelength, owing to the robust optical birefringence of NbOBr2. The ratio of the enhancement factor along the b- and c-axis of NbOBr2 reaches 2.43 and 5.27 for SHG and THG at 1500 nm pump, respectively, which leads to an extraordinarily high SHG anisotropic ratio of 17.82 and a 10° rotation of THG polarization. The research presents a feasible and practical strategy for developing high-efficiency and low-power-pumped on-chip nonlinear optical devices with tunable anisotropy.