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At least 1,207 records · Page 67

Highly soluble copper(ι) iodide-based hybrid luminescent semiconductors containing molecular and one-dimensional coordinated anionic inorganic motifs

Copper(I) iodide-based inorganic–organic hybrid semiconductors are considered promising materials for various optoelectronic applications. Here, using imidazolium bridged benzotriazoles as multidentate ligands, we designed and synthesized a series of all-in-one (AIO)-type CuI hybrid materials that hold both ionic and coordinate bonds at the interface of organic and inorganic modules. Their structures range from 0D clusters to 2D extended networks built on various molecular (0D) and chain-like (1D) anionic inorganic motifs that are interconnected through cationic ligands via multiple Cu–N bonds. Benefiting from their unique bonding nature, these compounds exhibit high stability towards heat and moisture and can be well dissolved in polar aprotic solvents. They emit low-energy light spanning from yellow to red color (550–625 nm). Finally, the electronic structure, emission mechanism, and effect of different coordination modes on their photophysical properties were studied using both experimental and theoretical methods, which has provided insight into the structure–property relationship of these inorganic–organic semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design of high polarization low switching barrier hybrid improper ferroelectric perovskite oxide superlattices

Hybrid improper ferroelectricity is a useful tool to design ABO 3 /A'BO 3 polar superlattices from non polar building blocks. In this study, we have designed high polarization-low switching barrier hybrid improper ferroelectric superlattices with efficient polarization, and polarization-magnetization switching properties above room temperature, using density functional theory and ab initio molecular dynamics simulations. Superlattices with a chemical formula of (AAlO 3 ) m /(A'AlO 3 ) n , where m/n = 1/1, 1/3, 3/1, 1/5 and 5/1, A, A' = Lanthanide and Y cations are considered to outline the design principles behind polarization switching and (LaFeO 3 ) 3 /(CeFeO 3 ) 1 is investigated for polarization-magnetization switching. We find that the unconventional switching paths via out-of-phase rotation Q R- (a 0 a 0 c - ) and tilt precession QTP always yield lower switching barrier compared to those via in-phase rotation Q R+ (a 0 a 0 c + ) and tilt QT (a - a - c 0 ) of BO 6 octahedra. Results from ab initio molecular dynamics simulations estimate the temperature at which the lowest energy barrier can be overcome. Furthermore, it is possible to tune the polarization switching barrier by tuning the tolerance factor, A,A' cation radius mismatch and super lattice periodicity. For switching via Q R- , the switching barrier varies exponentially with rotation angle, indicating how high switching barrier is expected for systems, away from cubic symmetry. We provide a recipe to overcome such a bottleneck by tuning superlattice periodicity. Finally, we have proposed the multiferroic device application concept through a proposed polarization-temperature hysteresis loop and magnetization switching.

36 MATERIALS SCIENCE↗

Making coordination networks ionic: a unique strategy to achieve solution-processable hybrid semiconductors

The development of high-performance, solution-processable semiconducting materials is crucial for the advancement of emerging clean-energy technologies such as light-emitting diodes and photovoltaics. While hybrid perovskites have shown considerable promise for implementation in these technologies, their reliance on toxic metals and relatively low stability towards moisture and chemical environments remain to be addressed. In this Chemistry Frontiers article, we describe a unique strategy to build nontoxic, robust and solution-processable hybrid semiconductors based on copper halide by incorporating ionic bonds in coordination complexes (molecular or extended network structures). Specifically, these compounds are made of anionic copper(I) halide and cationic organic ligands that form both coordinate and ionic bonds at the inorganic/organic interfaces and are referred to as all-in-one (AIO)-type structures. Here, the unique bonding nature renders the AIO-type structures with greatly enhanced solubility, excellent optical tunability and remarkable framework stability, all highly desirable for thin-film based optoelectronic devices. We will highlight the most recent progress in the development of this material group, including their design strategies, important properties and potential for clean-energy related applications. We will also briefly discuss the existing challenges and future outlook of these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Leveraging peptide–cellulose interactions to tailor the hierarchy and mechanics of peptide–polymer hybrids

Inspired by spider silk's hierarchical diversity, we leveraged peptide motifs with the capability to tune structural arrangement for controlling the mechanical properties of a conventional polymer framework. The addition of nanofiller with hydrogen bonding sites was used as another pathway towards hierarchical tuning via matrix–filler interactions. Specifically, peptide–polyurea hybrids (PPUs) were combined with cellulose nanocrystals (CNCs) to develop mechanically-tunable nanocomposites via tailored matrix–filler interactions (or peptide–cellulose interactions). In this material platform, we explored the effect of these matrix–filler interactions on the secondary structure, hierarchical ordering, and mechanical properties of the peptide hybrid nanocomposites. Interactions between the peptide matrix and CNCs occur in all of the PPU/CNC nanocomposites, preventing α-helical ordering, but promoting inter-molecular hydrogen bonded β-sheet formation. Depending on peptide and CNC content, the Young's modulus varies from 10 to 150 MPa. Unlike conventional cellulose-reinforced polymer nanocomposites, the mechanical properties of these composite materials are dictated by a balance of CNC reinforcement, peptidic ordering, and microphase-separated morphology. This research highlights that leveraging peptide–cellulose interactions is a strategy to create materials with targeted mechanical properties for a specific application using a limited selection of building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Discovery of hybrid chemical synthesis pathways with DORAnet

Developing efficient tools for discovering novel synthesis pathways is essential to advance chemical production methods that maximize the use of resources and energy. We introduce DORAnet (Designing Optimal Reaction Avenues Network Enumeration Tool), an open-source computational framework that addresses key limitations in current computer-aided synthesis planning (CASP) tools. DORAnet integrates both chemical/chemocatalytic (i.e., non-enzymatic) and enzymatic transformations, enabling the discovery of hybrid synthesis pathways. With 390 expert-curated chemical/chemocatalytic reaction rules and 3606 enzymatic rules derived from MetaCyc, it provides extensive flexibility for synthetic chemists and biotechnologists. The framework features customizable network expansion strategies, advanced filtering, and pathway search, ranking, and visualization tools. Validated against known reaction data, DORAnet successfully identified both established and novel synthesis routes for key industrial chemicals. In a case study involving 51 high-volume targets, DORAnet frequently ranked known commercial pathways among the top three results, demonstrating its practical relevance and ranking accuracy, while also uncovering numerous alternative (hybrid) synthesis pathways that were highly ranked.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The importance of ester cleavage in the butylamine pretreatment of hybrid poplar

Butylamine is an effective in-and-out pretreatment solvent for hybrid poplar. It penetrates the cell walls and breaks ester cross-linkages, facilitating lignin release and improving enzymatic digestion. This work explores the “in-and-out” pretreatment of hybrid poplar with butylamine as a distillable protic solvent and reagent. The butylamine solvent can be removed by vacuum distillation with >95% solvent removal in all cases, providing a valuable scheme for efficient solvent recovery and recycling. Running the reaction with neat butylamine at 140 °C for 3 hours results in high yields of monosaccharides (90% glucose and 71% xylose) after enzymatic digestion, and a good tolerance to water content with no significant reduction in glucose yield up to an 8 : 1 water : butylamine ratio. We investigate the mechanisms of this pretreatment using powder X-ray diffraction, thermogravimetric analysis, fluorescence microscopy, elemental analysis, solid state and solution state nuclear magnetic spectroscopy to observe chemical and material markers of the pretreatment chemistry. The results suggest that the butylamine leaves the macro and microstructural properties of the lignocellulose relatively unaltered, but conducts targeted ester cleavage chemistry to remove cross-links between the various biopolymers and partially solubilize the lignin component of the biomass. These findings should act to guide future development of pretreatment chemistry for the development of biorefinery processes, and assist in the utilization of biomass as a starting point for chemical syntheses.

Palasz, Joseph M↗

Morphology and property tuning in ZnO–Ni hybrid metamaterials in vertically aligned nanocomposite (VAN) form

ZnO thin films have attracted significant interest in the past decades owing to their unique wide band gap properties, piezoelectric properties, non-linearity and plasmonic properties. Recent efforts have been made in coupling ZnO with secondary phases to enhance its functionalities, such as Au–ZnO nanocomposite thin films with tunable optical and plasmonic properties. In this work, magnetic nanostructures of Ni are incorporated in ZnO thin films in a vertically aligned nanocomposite (VAN) form to couple magnetic and plasmonic response in a complex hybrid metamaterial system. Nickel (Ni) is of interest due to its ferromagnetic and plasmonic properties along with gold (Au) which is also plasmonic. Therefore, two approaches, namely, tuning of the deposition pressure and use of a ZnO–Au seeding layer have been attempted to achieve unique Ni nanostructures in addition to tuning of the microstructure. Together, both approaches demonstrate a range of microstructures such as core–shell, nanodisk, nanocup, and nanocube-like morphologies not previously attempted. Additionally, there is effective tuning of properties. Specifically, the seeding layer thickness causes hyperbolic behavior as well as redshift in the surface plasmon resonance (SPR) wavelength. The addition of the ZnO–Au seeding layer directly influences the optical properties. Plus, regardless of the different approaches, the films demonstrate magnetic anisotropy based on the composition and microstructure of the film which impacted the saturation magnetization and coercivity. This study demonstrates the potential of ZnO-based complex hybrid metamaterials with coupled electro-magneto-optical properties for integrated photonic devices.

Bhatt, Nirali A. [Purdue Univ., West Lafayette, IN↗

Rare‐Earth Reduction in High‐Speed PM‐Assisted Synchronous Reluctance Motors Using Hybrid Magnet Strategies and Design Optimisation for 800 V EVs

The trend towards electrifying transportation systems has stimulated research endeavours aimed at developing electric machines that are not only high speed and efficient but also low‐cost and compact. To support this transition, the US Department of Energy (DOE) has established ambitious targets of $7/kW cost and 12 kW/L power density for the electric drivetrains. This paper attempts to meet these targets by proposing high‐speed permanent magnet assisted synchronous reluctance machine (PMASynRM) topologies enabled by hybrid magnet strategies, combining rare‐earth (RE) magnets with low‐cost, RE‐free alternatives. Modified 2‐layer and 3‐layer U‐shaped rotor configurations, featuring structural reinforcements to withstand high mechanical stress at elevated speeds, are developed. A multi‐objective design optimisation framework is employed to optimise the rotor design, targeting reductions in RE magnet volume, magnet demagnetisation risk and torque ripple while achieving the desired electromagnetic performance. A comprehensive analysis of the optimised rotor designs, compared against a 16,000 rpm, 800 V baseline IPM motor, shows over 70% RE reduction, demagnetisation risk below 3.5% and torque ripple under 10%. Detailed analyses of performance trends across various magnet combinations and rotor configurations highlight the viability of hybrid magnet PMASynRM designs as cost‐effective, robust and energy‐efficient solutions for next‐generation EVs.

33 ADVANCED PROPULSION SYSTEMS↗

Design considerations of series type hybrid circuit breaker (S‐HCB)

Abstract The series‐type direct current (DC) hybrid circuit breaker (S‐HCB) concept was previously reported to offer better performance than solid‐state circuit breakers (SSCB) and hybrid circuit breakers (HCB). S‐HCB offers low conduction power loss like an HCB and ‐scale interruption time, which is even faster than an SSCB. It uses a pulse transformer to isolate the lower‐voltage high‐inductance power electronic circuit from the high‐voltage, low‐inductance main power loop. This paper provides analysis of the impact of the S‐HCB circuit components on the overall system performance and a scalable S‐HCB design guide for different DC system voltage and current ratings. In addition, system energy flow analysis is performed in the time domain to provide an understanding of how energy is delivered, dissipated, and released throughout the entire fault interruption process. The S‐HCB prototype was experimentally tested at 3 kV/30 A and 6 kV/150A with the results showing the interruption of the low fault current of 30 A and the high fault current of 150 A within 8 and maintaining the fault current at a near zero value for 300 to enable an arcless opening of a series mechanical switch. The key design challenges of S‐HCB at high voltage and high current ratings were discussed and possible solutions to mitigate those challenges were introduced.

Alashi, Mahmoud↗

3D hybrid fluid-particle jet simulations and the importance of synchrotron radiative losses

Context. Relativistic jets in active galactic nuclei are known for their exceptional energy output, and imaging the synthetic synchrotron emission of numerical jet simulations is essential for a comparison with observed jet polarization emission. Aims. Through the use of 3D hybrid fluid-particle jet simulations (with the PLUTO code), we overcome some of the commonly made assumptions in relativistic magnetohydrodynamic (RMHD) simulations by using non-thermal particle attributes to account for the resulting synchrotron radiation. Polarized radiative transfer and ray-tracing (via the RADMC-3D code) highlight the differences in total intensity maps when (i) the jet is simulated purely with the RMHD approach, (ii) a jet tracer is considered in the RMHD approach, and (iii) a hybrid fluid-particle approach is used. The resulting emission maps were compared to the example of the radio galaxy Centaurus A. Methods. We applied the Lagrangian particle module implemented in the latest version of the PLUTO code. This new module contains a state-of-the-art algorithm for modeling diffusive shock acceleration and for accounting for radiative losses in RMHD jet simulations. The module implements the physical postulates missing in RMHD jet simulations by accounting for a cooled ambient medium and strengthening the central jet emission. Results. We find a distinction between the innermost structure of the jet and the back-flowing material by mimicking the radio emission of the Seyfert II radio galaxy Centaurus A when considering an edge-brightened jet with an underlying purely toroidal magnetic field. We demonstrate the necessity of synchrotron cooling as well as the improvements gained when directly accounting for non-thermal synchrotron radiation via non-thermal particles.

79 ASTRONOMY AND ASTROPHYSICS↗

Implosion mediated gas-puff hybrid X-pinch

Imploding gas-puff z-pinches are efficient sources of intense X-rays. However, the unpredictable size, number, and location of hot-spots along the pinch axis make them unsuitable for applications such as point-projection radiography. Crossed wire or hybrid X-pinches on the other hand provide small, localized sources but require fast current rise times and must be reloaded after each pulse. In this letter, we present the first experimental demonstration of an implosion mediated gas-puff hybrid x-pinch in which an annular gas-puff implosion is shaped and focused onto pair of conical electrodes separated by a small gap. Here, this setup produces an intense X-ray source with controllable timing that can be operated with or without a central wire. Because the gas-puff implosion time determines the formation of the pinch, this configuration can continue to operate efficiently as a point X-ray source for longer current pulses than conventional x-pinches.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Direct comparison of wire, foil, and hybrid X-pinches on a 200 kA, 150 ns current driver

Wire X-pinches (WXPs) have been studied comprehensively as fast (~1 ns pulse width), small (~1 μm) x-ray sources, created by twisting two or more fine wires into an “X” to produce a localized region of extreme magnetic pressure at the cross-point. Recently, two alternatives to the traditional WXP have arisen: the hybrid X-pinch (HXP), composed of two conical electrodes bridged by a thin wire or capillary, and the laser-cut foil X-pinch (LCXP), cut from a thin foil using a laser. We present a comparison of copper wire, hybrid, and laser-cut foil X-pinches on a single experimental platform: UC San Diego’s ~200 kA, 150 ns rise time GenASIS driver. All configurations produced 1–2 ns pulse width, ≤5 μm soft x-ray (Cu L-shell, ~1 keV) sources (resolutions diagnostically limited) with comparable fluxes. WXP results varied with linear mass and wire count, but consistently showed separate pinch and electron-beam-driven sources. LCXPs produced the brightest (~1 MW), smallest (≤5 μm) Cu K-shell sources, and spectroscopic data showed both H-like Cu K α lines indicative of source temperatures ≥2 keV, and cold K α (~8050 eV) characteristic of electron beam generated sources, which were not separately resolved on other diagnostics (within 1–2 ns and ≤200 μm). HXPs produced minimal K-shell emission and reliably single, bright, and small L-shell sources after modifications to shape the early current pulse through them. Benefits and drawbacks for each configuration are discussed to provide potential X-pinch users with the information required to choose the configuration best suited to their needs.

42 ENGINEERING↗

Observation of synergy between lower hybrid waves at two frequencies in EAST

Synergistic effects between two frequencies of lower hybrid (LH) waves—operating at 2.45 and 4.6 GHz—were observed in experiment on EAST for the first time. At low density (ne,lin≈2.0×1019 m−3), simultaneous injection of a 65/35 mix of 2.45/4.6 GHz power achieved an lower hybrid current drive efficiency that was 25% higher than what should be expected from the linear combination of the two sources. The experiment was interpreted with time-dependent simulations, using the equilibrium and transport solver TRANSP, coupled with the ray-tracing code GENRAY and the Fokker–Planck solver CQL3D. For each discharge, profiles of current and hard x-rays from simulation and measurement agree within uncertainties. An examination of the electron distribution function indicates that the LH synergy is supported by the increased width of the LH resonance plateau in the simultaneous injection case compared to independent injection.

Choi, W. (ORCID:0000000268912300)↗

Reconfigurable plasma-dielectric hybrid photonic crystal as a platform for electromagnetic wave manipulation and computing

The introduction of 3D printing has enabled fabrication of photonic crystal devices with complex crystal structures that would be challenging to construct using other fabrication methods. In this paper, we construct and characterize a photonic crystal consisting of two 4 x 8 x 8 cubic lattices composed of spherical silicon nitride elements straddling a layer of 8 plasma discharge tubes, creating a 3D hybrid plasma photonic crystal device. Integrating under-dense gaseous plasma elements provides a unique coupling dynamic between the dielectric spheres and the cylindrical plasma discharges, creating a monolithic hybrid photonic crystal with solid state and reconfigurable elements. The device has resonant modes that have attenuation peaks that are either switchable, tunable in amplitude, or tunable in frequency with variations in plasma density. The response of these bands seen with varying plasma density is confirmed through simulations when effects due to the heating of the photonic crystal from the gaseous plasma elements are accounted for in the experiments. We discuss how this reconfigurable device may be used and expanded upon for applications in photonic artificial neural networks and optical computing systems.

3D printing↗

Modeling the spectral modification of lower hybrid wave in the presence of drift-wave type density fluctuation in the scrape-off-layer of the EAST tokamak

In this work, the spectrum change of the lower hybrid (LH) waves caused by a low-frequency density fluctuation in the scrape-off-layer is studied by applying the wave scattering model developed by Bonoli and Ott [Phys. Fluids 25, 359 (1982)] via a Monte Carlo method. A ray-tracing model specific to this purpose is developed to evaluate the probability distribution of both the poloidal refractive index (N θ ) and the parallel refractive index (N ∥ ) of the LH wave at the last closed flux surface (LCFS).The probability distributions of N ∥ and N θ at the LCFS are studied using the EAST parameters as a function of wave frequency, the initial N ∥ , and the polar injection position, which may influence the lower hybrid current drive efficiency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A hybrid coupler for directing quantum light emission with high radiative Purcell enhancement to a dielectric metasurface lens

Quantum photonic technologies such as quantum sensing, metrology, and simulation could be transformatively enabled by the availability of integrated single photon sources with high radiative rates and photon collection efficiencies. We address these challenges for quantum emitters formed from color center defect sites such as those in hexagonal boron nitride, which are promising candidates as single photon sources due to their bright, stable, polarized, and room temperature emission. We report design of a nanophotonic coupler from color center quantum emitters to a dielectric metasurface lens. The coupler is comprised of a hybrid plasmonic–dielectric resonator that achieves a large radiative Purcell enhancement and partial control of far-field radiation. We report radiative Purcell factors up to 285 and photon collection efficiencies up to 89% for a lossless metasurface, applying a continuous hyperboloidal phase-front. Our hybrid plasmonic–dielectric coupler interfacing two nanophotonic elements is a compound optical element, analogous to those found in microscope objective lenses, which combine multiple optical functions into a single component for improved performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Multiframe point-projection radiography imaging based on hybrid X-pinch

This paper demonstrates the possibility of using a new configuration of the hybrid X-pinch to produce a set of spatially and temporarily separate x-ray bursts that could be used for the radiography of dynamic events. To achieve this, a longer than normal wire is placed between the conical electrodes of the hybrid X-pinch, and a set of small spacers (fishing weights) is placed along the wire. Each subsection of the wire then acts as a unique X-pinch, producing its own radiation burst from a small (~3 µm) spot. The timing between bursts is 20–50 ns, and each is <2 ns in duration. For comparison, if a longer wire is simply employed without spacers, hotspots of radiation occur in random positions and the time between any two bursts does not exceed 20 ns. Examples of two and three frame point-projection radiography of solid-state and plasma test objects are given.

47 OTHER INSTRUMENTATION↗

Quantum-classical hybrid algorithm for the simulation of all-electron correlation

While chemical systems containing hundreds to thousands of electrons remain beyond the reach of quantum devices, hybrid quantum-classical algorithms present a promising pathway toward a quantum advantage. Hybrid algorithms treat the exponentially scaling part of the calculation-the static correlation-on the quantum computer and the non-exponentially scaling part-the dynamic correlation-on the classical computer. While a variety of algorithms have been proposed, the dependence of many methods on the total wave function limits the development of easy-to-use classical post-processing implementations. Here, we present a novel combination of quantum and classical algorithms, which computes the all-electron energy of a strongly correlated molecular system on the classical computer from the 2-electron reduced density matrix (2-RDM) evaluated on the quantum device. Significantly, we circumvent the wave function in the all-electron calculations by using density matrix methods that only require input of the statically correlated 2-RDM. Although the algorithm is completely general, we test it with two classical density matrix methods, the anti-Hermitian contracted Schrödinger equation (ACSE) and multiconfiguration pair-density functional theories, using the recently developed quantum ACSE method for simulating the statically correlated 2-RDM. Furthermore, we obtain experimental accuracy for the relative energies of all three benzyne isomers and thereby demonstrate the ability of the developed algorithm to achieve chemically relevant and accurate results on noisy intermediate-scale quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗