Electron Distribution Research Articles

Enhancing PEMFC Performance: Optimization of Hot-Pressed Decal Transfer Conditions for MEA Fabrication

Proton exchange membrane fuel cells (PEMFCs) hold significant promise in curbing greenhouse gas emissions within the transportation sector. While historically more expensive than conventional internal combustion engines, the cost per kW is poised to significantly drop as production volumes increase and the adoption of fuel cell electric vehicles progresses [1]. In heavy-duty vehicle applications, predictions suggest that hydrogen fuel cells will achieve a cost equivalence with diesel, potentially becoming the most cost-effective option when evaluating the total ownership expenses [2]. Membrane-electrode-assemblies (MEAs) serve as the core of fuel cells, where all reactions—proton and electron generation, distribution, and consumption occur. Their efficiency dictates both cell performance and lifespan. Various methods for fabricating MEAs have been developed, including decal transfer, catalyst-coated membrane (CCM), and catalyst-coated gas diffusion layer (CCG) techniques. Among these, the decal transfer method is widely regarded as the most appropriate for large-scale production of MEAs [3]. This study delves into an examination of diverse hot-pressed decal transfer conditions for the preparation of MEAs tailored for PEMFC application. Our investigation involves fabricating MEAs through hot-press decal transfer at temperatures spanning 115°C to 145°C and pressures ranging from 200 psi to 400 psi, each held for a 5-minute duration. Electrochemical characterizations were performed within a single-cell setup to assess MEA performance. Moreover, an accelerated stress test (AST) was carried out to scrutinize the stability of the fabricated MEAs concerning their decal transfer conditions and morphological variations. Our study extensively explored catalyst layers transferred under diverse hot-pressed decal transfer conditions, focusing on their fuel cell performance and transport properties. To comprehensively understand the influence of morphological alterations on electrochemical characteristics, additional morphological characterizations, including white light interferometer (WLI) imaging, field emission scanning electron microscopy (FESEM), Brunauer-Emmett-Teller (BET) surface area analysis, and nano-computed tomography (Nano-CT) were employed for MEA evaluation. Our findings indicate that the MEA produced at 145°C and 200 psi exhibited superior performance in both pre- and post-AST testing. Comprehensive experimental results and insights will be elaborated upon during the conference presentation.

Impact of nanosilver surface electronic distributions on serum protein interaction and hemocompatibility.

Translation of silver-based nanotechnology "from bench to bedside" requires a deep understanding of the molecular aspects of its biological action, which remains controversial at low concentrations and non-spherical morphologies. Here, we present a hemocompatibility approach based on the effect of the distinctive electronic charge distribution in silver nanoparticles (nanosilver) on blood components. On basis of spectroscopic, volumetric, microscopic, dynamic light scattering measurements, pro-coagulant activity tests and cellular inspection we determine that, at extremely low nanosilver concentrations (0.125 - 2.5 μg mL-1) there is a relevant interaction effect on serum albumin and on red blood cells. The explanation has its origin in the surface charge distribution of nanosilver and their electron-mediated energy transfer mechanism. Prism-shaped nanoparticles, with anisotropic charge distributions, act at the surface level generating a compaction of the native protein molecule, while the spherical nanosilver, by exhibiting isotropic surface charge, generates a polar environment comparable to the solvent. Both morphologies induce aggregation at NPs / BSA ≅ 0.044 molar ratio values without altering the coagulation cascade tests, although the spherical-shaped nanosilver has a negative impact on red blood cells. Overall, our results suggest that the electron distributions of nanosilver, even at extremely low concentrations, are a critical factor influencing the molecular structure of blood proteins and red blood cells' membranes. Isotropic forms of nanosilver should be considered with caution, as they are not always the least harmful.

Resolving plasmon-mediated high-order multiphoton excitation pathways in dolmen nanostructures using ultrafast nonlinear optical interferometry.

The multiphoton excitation pathways of plasmonic nanorod assemblies are described. By using dolmen structures formed from the directed assembly of three gold nanorods, plasmon-mediated three-photon excitation is resolved. These high-order multiphoton excitation channels were accessed by resonantly exciting a hybrid mode of the dolmen structure that was resonant with the 800-nm carrier wavelength of an ultrafast laser system. Rotation of the exciting field polarization to a non-resonant configuration did not generate third-order responses. Hence, the multiphoton excitation and resultant non-equilibrium electron distributions were generated by structure- and mode-selective excitation. Correlation between high-order and resonant plasmon excitation was achieved through sub-cycle time-resolved interferometric detection of incoherent nonlinear emission signals. The results illustrate the advantages of nonlinear optical interferometry and Fourier analysis for distinguishing plasmon-mediated processes from those that do not require plasmon excitation.

Doubly differential cross sections for ionization in proton collisions with atomic hydrogen: Energy and angular distribution of emitted electrons

Doubly differential cross sections for ionization in proton collisions with atomic hydrogen: Energy and angular distribution of emitted electrons

Constructing Metal-Organic Framework Films with Adjustable Electronic Properties on Hematite Photoanode for Boosting Photogenerated Carrier Transport.

Hematite (α-Fe2O3) has become a research hotspot in the field of photoelectrochemical water splitting (PEC-WS), but the low photogenerated carrier separation efficiency limits further application. The electronic structure regulation, such as element doping and organic functional groups with different electrical properties, is applied to alleviate the problems of poor electrical conductivity, interface defects, and band mismatch. Herein, α-Fe2O3 photoanodes are modified to regulate their electric structures and improve photogenerated carrier transport by the bimetallic metal-organic frameworks (MOFs), which are constructed with Fe/Ni and terephthalate (BDC) with 2-substitution of different organic functional groups (─H, ─Br, ─NO2 and ─NH2). The α-Fe2O3 photoanode loaded with FeNi-NH2BDC MOF catalyst exhibits the optimal photocurrent density (2mAcm-2) at 1.23VRHE, which is 2.33 times that of the pure α-Fe2O3 photoanode. The detailed PEC analyses demonstrate that the bimetallic synergistic effect between Fe and Ni can improve the conductivity and inhibit the photogenerated carrier recombination of α-Fe2O3 photoanodes. The ─NH2 group as an electron-donor group can effectively regulate the electron distribution and band structure of α-Fe2O3 photoanodes to prolong the lifetime of photogenerated holes, which facilitates photogenerated carrier transport and further enhances the PEC-WS performance of α-Fe2O3 photoanode.

Molecular Interactions Between Hexanal Schiff Bases and Boron Nanocages: A DFT Approach

This study explores the interactions between hexanal Schiff bases and a B12N12 nanocage, employing density functional theory (DFT) calculations to deepen our understanding of noncovalent bonds. Hexanal, a key component in tea, plays a vital role in prolonging the shelf-life of various plant-based products by inhibiting phospholipase-D. Our research initially focused on synthesizing Schiff bases through the condensation of hexanal with nucleobases and an amino acid. We then conducted a series of DFT calculations, including geometry optimizations, frontier molecular orbital (FMO), natural bond orbital (NBO) and noncovalent interactions (NCI) assays, using Gaussian 16 and ORCA 5.0.2 software packages. This study reveals that hexanal Schiff bases form stable complexes with the B12N12 nanocage, exhibiting notable dative coordinate bonding. The FMO analysis indicates a significant energy gap variation among the complexes, with CSB2 showing the lowest energy gap, hinting at its high reactivity. In the LED assay, CSB2 demonstrates the lowest decomposition energy, highlighting its potential stability. The AIMD simulations provide insights into the electronic motions of these complexes, underscoring their dynamic nature. Our NBO analysis offers a comprehensive view of the electron distribution within these complexes, emphasizing the significance of nitrogen and boron atoms in the bonding process. The NCI assay sheds light on the predominant van der Waals and steric interactions contributing to the stability of the complexes. This investigation provides a detailed account of the NCI between hexanal Schiff bases and the B12N12 nanocage. The findings not only contribute to the field of noncovalent bonding in inorganic-fullerene structures but also open avenues for future applications in material science and molecular engineering.

Electron tail suppression and effective collisionality due to synchrotron emission and absorption in mildly relativistic plasmas

Synchrotron radiation losses are a significant cause of concern for high-temperature aneutronic fusion reactions such as proton–Boron 11. The fact that radiation losses occur primarily in the high-energy tail, where the radiation itself has a substantial impact on the electron distribution, necessitates a self-consistent approach to modeling the diffusion and drag induced by synchrotron absorption and emission. Furthermore, an accurate model must account for the fact that the radiation emission spectrum is momentum-dependent, and the plasma opacity is frequency-dependent. Here, we present a simple Fokker–Planck operator, built on a newly solved-for blackbody synchrotron diffusion operator, which captures all relevant features of the synchrotron radiation. Focusing on magnetic mirror fusion plasmas, we show that significant suppression of the electron distribution occurs for relativistic values of the perpendicular electron momentum, which therefore emit much less radiation than predicted under the assumption of a Maxwell–Jüttner distribution.

Exploration of microscopic physical processes of Z-pinch by a modified electrostatic direct implicit particle-in-cell algorithm

Abstract For investigating efficiently the stagnation kinetic-process of Z-pinch, we develop a novel modified electrostatic implicit particle-in-cell algorithm in radial one-dimension for Z-pinch simulation in which a small-angle cumulative binary collision algorithm is used. In our algorithm, the electric field in z-direction is solved by a parallel electrode-plate model, the azimuthal magnetic field is obtained by Ampere’s law, and the term for charged particle gyromotion is approximated by the cross product of the averaged velocity and magnetic field. In simulation results of 2 MA deuterium plasma shell Z-pinch, the mass-center implosion trajectory agrees generally with that obtained by one-dimensional MHD simulation, and the plasma current also closely aligns with the external current. The phase space diagrams and radial-velocity probability distributions of ions and electrons are obtained. The main kinetic characteristic of electron motion is thermal equilibrium and oscillation, which should be oscillated around the ions, while that of ion motion is implosion inwards. In the region of stagnation radius, the radial-velocity probability distribution of ions transits from the non-equilibrium to equilibrium state with the current increasing, while of electrons is basically the equilibrium state. When the initial ion density and current peak are not high enough, the ions may not reach their thermal equilibrium state through collisions even in its stagnation phase.

Screening and Antiscreening Effects in Endohedral Nanotubes.

Recently we investigated from first-principles screening properties in systems where small molecules, characterized by a finite electronic dipole moment, are encapsulated in different nanocages. The most relevant result was the observation of an antiscreening effect in alkali-halide nanocages characterized by ionic bonds: in fact, due to the relative displacement of positive and negative ions, induced by the dipole moment of the encapsulated molecule, these cages act as dipole-field amplifiers, different from what is observed in carbon fullerene nanocages, which exhibit instead a pronounced screening effect. Here we extend the study to another class of nanostructures: the nanotubes. Using first-principles techniques based on density functional theory, we studied the properties of endohedral nanotubes obtained by encapsulation of a water molecule or a linear HF molecule. A detailed analysis of the effective dipole moment of the complexes and of the electronic charge distribution suggests that screening effects crucially depend not only on the nature of the intramolecular bonds but also on the size and the shape of the nanotubes and on the specific encapsulated molecule. As observed in endohedral nanocages, screening is maximum in covalent-bond carbon nanotubes, while it is reduced in partially ionic nanotubes, and an antiscreening effect is observed in some ionic nanotubes. However, in this case, the scenario is more complex than in corresponding ionic nanocages. In fact the specific geometric structure of alkali-halide nanotubes turns out to be crucial for determining the screening/antiscreening behavior: while nanotubes with octagonal transversal section can exhibit an antiscreening effect, which quantitatively depends on the number of layers in the longitudinal direction, instead nanotubes with dodecagonal section are always characterized by a reduction of the total dipole moment so that a screening behavior is observed. Our results show that, even in nanotube structures, in principle one can tune the dipole moment and generate electrostatic fields at the nanoscale without the aid of external potentials.

Preparatory study of feasibility for a vertical viewing electron cyclotron emission diagnostic for the JT-60SA tokamak.

A preparatory study is underway to investigate the feasibility study of high-energetic, non-thermal electron distribution function measurements using a vertical-viewing electron cyclotron emission (ECE) diagnostic on JT-60SA. The system is designed to detect broad ECE spectra (70-260GHz) due to the second, third, and fourth harmonics using a focusing optics system with four quasi-optical mirrors in the upper port of JT-60SA. A Gaussian beam optics design is performed in vacuum, and ray tracing calculations are performed in plasma using the TRAVIS code to investigate density characteristics. A ceramic viewing dump is also designed to reduce the effects of multiple reflections from the opposing vacuum vessel surface.

Exploring relaxation dynamics in warm dense plasmas by tailoring non-thermal electron distributions with a free electron laser

Exploring relaxation dynamics in warm dense plasmas by tailoring non-thermal electron distributions with a free electron laser

Investigating Boundary Layer Properties at Jupiter's Dawn Magnetopause

AbstractWe survey crossings of Jupiter's dawn magnetopause during the Juno prime mission to identify and characterize Jupiter's magnetopause boundary layer. Using plasma and magnetic field observations from Jovian Auroral Distributions Experiment and Juno Magnetic Field investigation, we identify 53 boundary layer events from the 62 magnetopause crossings studied here. We find that the boundary layer generally exhibits mixed properties of magnetosheath and magnetosphere electron distributions, including lower characteristic electron energies and denser ion populations than in the magnetosphere, but higher characteristic electron energies and less dense ion populations than in the magnetosheath. Boundary layer proton speeds are on average slower than both the magnetosheath and magnetosphere. Other proton parameters in the boundary layer have intermediate values between the magnetosheath and magnetosphere. Through ion composition analysis in regions adjacent to the magnetopause, we find evidence of solar wind and magnetospheric plasma in the boundary layer that suggests plasma is transported across the magnetopause in both directions. This mass and energy transport may be the result of solar wind interactions such as magnetic reconnection and Kelvin‐Helmholtz instabilities. However, many boundary layer events do not exhibit local signatures of these solar wind interactions and plasma may be transported by a non‐local process or diffusively transported.

Enhanced vanadium redox reaction catalytic properties enabled by tunning oxygen vacancy in rutile tio2 coated graphite felt electrodes

Abstract Catalyzing vanadium redox reactions in VRFBs with transition metal oxides is an effective and affordable approach. In this study, the surface electron distribution of TiO2 was regulated by introducing oxygen vacancies into its lattice, enabling the electrode to exhibit outstanding catalytic efficacy in VO2 +/VO2+ and V3+/V2+ redox transformations and suppress the detrimental side reaction (HER and OER) simultaneously. Benefiting from the enhanced catalytic activity and selectivity, the 1000-TiO2-GF electrode sustained a stable operation for 100 cycles at 120 mA cm−2 with no discernible efficiency degradation. The DFT results indicate that oxygen vacancy in TiO2 provides more extra electrons to its neighboring titanium, further strengthening the interaction between the electron-rich titanium and oxygen in VO2 +/VO2+, thus enhancing its catalytic performance. The enhanced catalytic activity for V3+/V2+ on oxygen vacancy-rich TiO2 coating can be attributed to the effective suppression of hydrogen evolution reaction, which can occupy active sites exclusively and produce detrimental H2 bubbles. This insight provides valuable guidance for the innovative design of catalysts in vanadium redox flow batteries.

Complete quasilinear model for the acceleration-driven lower hybrid drift instability and a computational assessment of its validity.

A complete quasilinear model is derived for the electrostatic acceleration-driven lower hybrid drift instability in a uniform two-species low-beta plasma in which current is perpendicular to the background magnetic field. The model consists of coupled nonlinear velocity space diffusion equationsfor the volume-averaged ion and electron distribution functions. Each species' diffusion coefficient depends on a time-evolving spectral density of the electric-field energy per unit volume and a time-evolving dispersion relation. The dispersion relation is expressed analytically in integral form without the use of asymptotic limits and applies to arbitrary distribution functions, so long as they can be expressed as a function of one velocity coordinate, e.g., f(v_{y}) or f(v_{⊥}). The quasilinear model conserves energy and is complete in that it fully describes the evolution of the distribution functions, including resonant and nonresonant particle-wave interactions, while accounting for distribution-function-dependent mixed-complex frequencies. The quasilinear diffusion model is solved numerically and self-consistently using a Crank-Nicolson temporal discretization and a second-order finite-volume velocity-space discretization. Numerical solutions are compared to nonlinear fourth-order accurate continuum kinetic Vlasov-Poisson simulations. Evolution of electric-field energy, growth rates, distribution functions, and diffusion coefficients are shown to be in agreement with Vlasov simulations. The quasilinear model is shown to predict anomalous transport terms, like resistivity and heating, to within a factor of order unity. Discrepancies between the quasilinear model and Vlasov simulations are assessed and attributed primarily to lack of damping in the quasilinear description and to the use of unperturbed-orbit susceptibilities in the linear theory dispersion relation. The results illuminate the predictive accuracy of the quasilinear model, place approximate bounds on its validity, and provide much needed vetting of quasilinear theory's ability to predict the nonlinear state of a microturbulent plasma.

Versatile Method of Engineering the Band Alignment and the Electron Wavefunction Hybridization of Hybrid Quantum Devices.

Hybrid devices that combine superconductors (S) and semiconductors (Sm) have attracted great attention due to the integration of the properties of both materials, which relies on the interface details and the resulting coupling strength and wavefunction hybridization. However, until now, none of the experiments have reported good control of the band alignment of the interface, as well as its tunability to the coupling and hybridization. Here, the interface is modified by inducing specific argon milling while maintaining its high quality, e.g., atomic connection, which results in a large induced superconducting gap and ballistic transport. By comparing with Schrödinger-Poisson calculations, it is proven that this method can vary the band bending/coupling strength and the electronic spatial distribution. In the strong coupling regime, the coexistence and tunability of crossed Andreev reflection and elastic co-tunneling-key ingredients for the Kitaev chain-are confirmed. This method is also generic for other materials and achieves a hard and huge superconducting gap in lead and indium antimonide nanowire (Pb-InSb) devices. Such a versatile method, compatible with the standard fabrication process and accompanied by the well-controlled modification of the interface, will definitely boost the creation of more sophisticated hybrid devices for exploring physics in solid-state systems.

Systematic Analysis of Spacer and Gate Length Scaling on Memory Characteristics in 3D NAND Flash Memory

This study investigates the impact of oxide/nitride (ON) pitch scaling on the memory performance of 3D NAND flash memory. We aim to enhance 3D NAND flash memory by systematically reducing the spacer length (Ls) and gate length (Lg) to achieve improved memory characteristics. Using TCAD simulations, we evaluate the effects of Ls and Lg scaling on the program speed, erase speed, and Z-interference. Furthermore, we examine the influence of concave and convex channel structures in the context of Ls and Lg scaling. By analyzing the distributions of electron and hole-trapped charges, we provide insights into optimizing the trade-offs between the memory window and retention characteristics. This research offers valuable guidelines for improving the reliability and performance of 3D NAND flash memory through a systematic analysis of spacer and gate length scaling.

The effect of the external magnetic field on the power of the laser passing through the magnetized plasma and the calculation of the radius of convergence and the investigation of the condition of the beam's filamentation in the Medium

In this article, the power of a laser passing through a magnetized plasma medium which is affected by an external magnetic field is calculated.The change in the intensity of the magnetic field and its rotation around the axis of laser beam propagation in the plasma, on the power of the passing beam is investigated.This work is done based on the indirect effect of the magnetic field on the density distribution of electrons in the plasma, which we can consider the density changes as changes in the refractive index of the medium, so the laser power in this case is different from the case where there is no magnetic field. Also, the condition of beam filamentation has been researched as one of the third-order nonlinear phenomena, and the convergence radius has been calculated under these conditions.

Klein–Nishina Corrections to the Spectra and Light Curves of Gamma-Ray Burst Afterglows

Multiwavelength modeling of the synchrotron radiation from relativistic transients such as gamma-ray burst (GRB) afterglows is a powerful means of exploring the physics of relativistic shocks and of deriving properties of the explosion, such as the kinetic energy of the associated relativistic outflows. Capturing the location and evolution of the synchrotron cooling break is critical to break parameter degeneracies associated with such modeling. However, the shape of the spectrum above the cooling break, as well as the location and evolution of the break itself can be significantly altered by synchrotron self-Compton (SSC) cooling. We present an observer’s guide to applying SSC cooling with and without Klein–Nishina (KN) corrections to GRB afterglow modeling. We provide a publicly available Python code to calculate the Compton Y-parameter as a function of electron Lorentz factor, from which we compute changes to the electron distribution, along with KN-corrected afterglow spectra and light curves. In this framework, the canonical synchrotron spectral shapes split into multiple subregimes. We summarize each new spectral shape and describe its observational significance. We discuss how KN corrections can account for harder spectra and shallower decline rates observed in some GRB X-ray afterglows. Our overall aim is to provide an easy application of SSC+KN corrections into analytical multiwavelength modeling frameworks for relativistic transients.

Effect of liquid surface depression size on discharge characteristics and chemical distribution in the plasma-liquid anode system

Atmospheric pressure plasma-liquid interactions exist in a variety of applications, including wastewater treatment, wound sterilization, and disinfection. In practice, the phenomenon of liquid surface depression will inevitably appear. The applied gas will cause a depression on the liquid surface, which will undoubtedly affect the plasma generation and further affect the application performance. However, the effect of liquid surface deformation on the plasma is still unclear. In this work, numerical models are developed to reveal the mechanism of liquid surface depressions affecting plasma discharge characteristics and the consequential distribution of plasma species, and further study the influence of liquid surface depressions of different sizes generated by different helium flow rates on the plasma. Results show that the liquid surface deformation changes the initial spatial electric field, resulting in the rearrangement of electrons on the liquid surface. The charges deposited on the liquid surface further increase the degree of distortion of the electric field. Moreover, the electric field and electron distribution affected by the liquid surface depression significantly influence the generation and distribution of active species, which determines the practical effectiveness of the relevant applications. This work explores the phenomenon of liquid surface depression, which has been neglected in previous related work, and contributes to further understanding of plasma-liquid interactions, providing better theoretical guidance for related applications and technologies.

Harnessing Dual Phototherapy and Immune Activation for Cancer Treatment: The Development and Application of BODIPY@F127 Nanoparticles.

Conventional phototherapeutic agents are typically used in either photodynamic therapy (PDT) or photothermal therapy (PTT). However, efficacy is often hindered by hypoxia and elevated levels of heat shock proteins in the tumor microenvironment (TME). To address these limitations, a formylated, near-infrared (NIR)-absorbing and heavy-atom-free Aza-BODIPY dye is presented that exhibits both type-I and type-II PDT actions with a high yield of reactive oxygen species (ROS) and manifests efficient photothermal conversion by precise adjustments to the conjugate structure and electron distribution, leading to a large amount of ROS production even under severe hypoxia. To improve biosafety and water solubility, the dye with an amphiphilic triblock copolymer (Pluronic F-127), yielding BDP-6@F127 nanoparticles (NPs) is coated. Furthermore, inspired by the fact that phototherapy triggers the release of tumor-associated antigens, a strategy that leverages potential immune activation by combining PDT/PTT with immune checkpoint blockade (ICB) therapy to amplify the systemic immune response and achieve the much-desired abscopal effect is developed. In conclusion, this study presents a promising molecular design strategy that integrates multimodal therapeutics for a precise and effective approach to cancer therapy.