Atomic Electron Research Articles

Solution-Processed Hydrogen-Bonded Organic Framework Nanofilms for High-Performance Resistive Memory Devices.

The integration of hydrogen-bonded organic frameworks (HOFs) into electronic devices holds great promise due to their high crystallinity, intrinsic porosity, and easy regeneration. However, despite their potential, the utilization of HOFs in electronicdevices remains largely unexplored, primarily due to the challenges associated with fabricating high-quality films. Herein, a controlled synthesis of HOFnanofilms with smooth surface, good crystallinity, and high orientation is achieved using a solution-processed approach. The memristors exhibit outstanding bipolar switching performance with alow set voltage of 0.86V, excellent retention of 1.64 × 104 s, and operational endurance of 60 cycles. Additionally, these robust memristors display remarkable thermal stability, maintaining their performance even at elevated temperatures of up to 200 °C. More strikingly, scratched HOFfilms can be readily regenerated through a simple solvent rinsing process, enabling their reuse for the fabrication of new memristors, which is difficult to achieve with traditional resistive switching materials. Additionally, a switching mechanism based on the reversible formation and annihilation of conductive filaments is revealed. This work provides novel and invaluable insights that have a significant impact on advancing the widespread adoption of HOFs as active layers in electronic devices.

Designing Nanostructured Organic-Based Material by Combining Plasma Polymerization and the Wrinkling Approach.

In this work, an innovative and versatile strategy for the fabrication of nanostructured organic thin films is established based on the wrinkling phenomenon taking place in a bilayer system constituted by a liquid plasma polymer film (PPF) and a top Al coating. By means of morphological characterization (i.e., atomic force microscopy and scanning electron microscopy), it has been demonstrated that the wrinkle dimensions (i.e., wavelength and amplitude) evolve as a function of the PPF thickness according to models established for conventional polymers. The wrinkled surfaces exhibit great stability over time as their dimension did not vary after 100 days of aging, resulting from a pinning phenomenon between the Al layer and the Si substrate, hence freezing the morphology. In a second step, the wrinkled surfaces have been employed as templates for the deposition of an additional PPF third layer, giving rise to the formation of a nanostructured organic-based surface. The chemical composition of the material can be tuned through an appropriate choice of precursor (i.e., allyl alcohol or propanethiol).

Artificial Neural Network-Based Density Functional Approach for Adiabatic Energy Differences in Transition Metal Complexes.

During the past decades, approximate Kohn-Sham density functional theory schemes have garnered many successes in computational chemistry and physics, yet the performance in the prediction of spin state energetics is often unsatisfactory. By means of a machine learning approach, an enhanced exchange and correlation functional is developed to describe adiabatic energy differences in transition metal complexes. The functional is based on the computationally efficient revision of the regularized, strongly constrained, and appropriately normed functional and improved by an artificial neural network correction trained over a small data set of electronic densities, atomization energies, and/or spin state energetics. The training process, performed using a bioinspired nongradient-based approach adapted for this work from the particle swarm optimization, is analyzed and discussed extensively. The resulting machine learned meta-generalized gradient approximation functional is shown to outperform most known density functionals in the prediction of adiabatic energy differences for a diverse set of transition metal complexes with varying local coordinations and metal choices.

Polarized resonance line transfer in a spherically symmetric medium with angle-dependent partial frequency redistribution

ABSTRACT In a stellar atmosphere, the resonance line polarization arises from scattering of limb-darkened radiation field by atoms. This spectral line polarization gets affected particularly in the wings, when the line photons suffer scattering on electrons in thermal motion. Scattering of line photons by atoms and electrons are, respectively, described by the atomic and Thomson electron scattering redistribution functions, which in general depend on both the frequencies and directions of incident and scattered photons. In this paper, we consider the polarized spectral line formation in spherically symmetric extended and expanding media accounting for the angle-dependent partial frequency redistribution (AD-PRD) in scattering on both atoms and electrons. We solve this computationally demanding polarized transfer problem using an accelerated lambda iteration method and a method based on orders of scattering approach. In the case of expanding spherical medium, the concerned transfer problem is solved in the comoving frame. Because of the computational limitations, we consider optically thin isothermal spherically symmetric media of different extensions for the static case as well as when the velocity fields are present. For the considered model, we show that the AD-PRD effects on the linear polarization profiles are significant and have to be accounted for.

Sugar osmolyte inhibits and attenuates the fibrillogenesis in RNase A: An in vitro and in silico characterizations

Mechanisms of protein aggregation are of immense interest in therapeutic biology and neurodegenerative medicine. Biochemical processes within the living cell occur in a highly crowded environment. The phenomenon of macromolecular crowding affects the diffusional and conformational dynamics of proteins and modulates their folding. Macromolecular crowding is reported to cause protein aggregation in some cases, so it is a cause of concern as it leads to a plethora of neurodegenerative disorders and systemic amyloidosis. To divulge the mechanism of aggregation, it is imperative to study aggregation in well-characterized model proteins in the presence of macromolecular crowder. One such protein is ribonuclease A (RNase A), which deciphers neurotoxic function in humans; therefore we decided to explore the amyloid fibrillogenesis of this thermodynamically stable protein. To elucidate the impact of crowder, dextran-70 and its monomer glucose on the aggregation profile of RNase-A various techniques such as Absorbance, Fluorescence, Fourier Transforms Infrared, Dynamic Light Scattering and circular Dichroism spectroscopies along with imaging techniques like Atomic Force Microscopy and Transmission Electron Microscopy were employed. Thermal aggregation and fibrillation were further promoted by dextran-70 while glucose counteracted the effect of the crowding agent in a concentration-dependent manner. This study shows that glucose provides stability to the protein and prevents fibrillation. Intending to combat aggregation, which is the hallmark of numerous late-onset neurological disorders and systemic amyloidosis, this investigation unveils that naturally occurring osmolytes or other co-solutes can be further exploited in novel drug design strategies.

Synthesis and Characterization of Antibacterial Chitosan Films with Ciprofloxacin in Acidic Conditions.

This work presents the results of research on obtaining chitosan (CS) films containing on their surface ciprofloxacin (CIP). A unique structure was obtained that not only gives new properties to the films, but also changes the way of coverage and structure of the surface. The spectroscopic test showed that in the process of application of CIP on the surface of CS film, CIP was converted from its crystalline form to an amorphic one, hence improving its bioavailability. This improved its scope of microbiological effect. The research was carried out on the reduction of CIP concentration during the process of CIP adhesion to the surface of chitosan films. The antibacterial activity of the CS films with and without the drug was evaluated in relation to Escherichia coli and Staphylococcus aureus, as well as Candida albicans and Penicillium expansum. Changes in the morphology and roughness of membrane surfaces after the antibacterial molecule adhesion process were tested with atomic force microscopy (AFM) and scanning electron microscopy (SEM). Structural analysis of CS and its modifications were confirmed with Fourier-transform spectroscopy in the infrared by an attenuated total reflectance of IR radiation (FTIR-ATR) and solid-state nuclear magnetic resonance (NMR).

Evaluation of Solar Conversion Efficiency in Dye-sensitized Solar Cells Using Natural Dyes Extracted from Alpinia purpurata and Alstroemeria Flower Petals as Novel Photosensitizers

Herein, we evaluate the conversion efficiency of dye-sensitized solar cells (DSSCs) photosensitized using two different natural dyes extracted from Alpinia purpurata and Alstroemeria flower petals. The appreciable absorption capacity of the extracts in the visible light region was examined through absorption spectroscopy. The functional groups of the corresponding pigments were identified through Fourier transform spectroscopy (FTIR) technique thus indicating the presence of cyanidin 3-glycosides and piperine in the flowers of Alstroemeria and Alpinia purpurata. The extracted dyes were immobilized on TiO2 on transparent conducting FTO glass, which were used as photoanode. The dye-coated TiO2 photoanode, pt photocathode and iodide/triiodide redox electrolyte assembled into a cell module was illuminated by a light source intensity 100 mW/cm2 to measure the photovoltaic conversion efficiency of DSSCs. The TiO2 anode and Pt counter electrode surface roughness and morphological studies were evaluated using atomic force microscope (AFM) and field emission scanning electron microscopy (FESEM), respectively. Through the photoelectric characterizations, it was promising to verify that the solar conversion efficiency was calculated with the photovoltaic cell sensitized by Alstroemeria and Alpinia purpurata. This was achieved with a yield (η) of 1.74% and 0.65%, with an open-circuit voltage (Voc) of 0.39 and 0.53 V, short-circuit current density (Jsc) of 2.04 and 0.49 mA/cm2, fill factor (FF) of 0.35 and 0.40, and Pmax of 0.280 and 0.100 mW/cm2, respectively. The results are promising and demonstrate the importance of the search for new natural dyes to be used in organic solar cells for the development of devices that generate electricity in a sustainable way.

Porous pseudo-substrates for InGaN quantum well growth: Morphology, structure, and strain relaxation

Strain-related piezoelectric polarization is detrimental to the radiative recombination efficiency for InGaN-based long wavelength micro-LEDs. In this paper, partial strain relaxation of InGaN multiple quantum wells (MQWs) on the wafer scale has been demonstrated by adopting a partially relaxed InGaN superlattice (SL) as the pseudo-substrate. Such a pseudo-substrate was obtained through an electro-chemical etching method, in which a sub-surface InGaN/InGaN superlattice was etched via threading dislocations acting as etching channels. The degree of strain relaxation in MQWs was studied by x-ray reciprocal space mapping, which shows an increase of the in-plane lattice constant with the increase of etching voltage used in fabricating the pseudo-substrate. The reduced strain in the InGaN SL pseudo-substrate was demonstrated to be transferable to InGaN MQWs grown on top of it, and the engineering of the degree of strain relaxation via porosification was achieved. The highest relaxation degree of 44.7% was achieved in the sample with the porous InGaN SL template etched under the highest etching voltage. Morphological and structural properties of partially relaxed InGaN MQWs samples were investigated with the combination of atomic force and transmission electron microscopy. The increased porosity of the InGaN SL template and the newly formed small V-pits during QW growth are suggested as possible origins for the increased strain relaxation of InGaN MQWs.

Effect of La2O3 on Magnesium Borosilicate glasses glass for radiation shielding materials in nuclear application

As the radiation shielding is important for human health, alternative materials are under research for using this purposes. Thus in this study, Magnesium Borosilicate Glasses were inspected for their radiation defensive mechanism. The glass compositions are 40MgO–30SiO2 – (30-x)B2O3–xLa2O3, where x = 0,2.5,5,7.5 (mol%). Lanthanum (III) oxide, known as lanthana, is an inorganic compound and in it contains the rare earth element lanthanum and oxygen. It can be used as a component of optical materials such as glass as it was used in this study. The variation of the linear attenuation coefficient (LAC) and some other parameters such as half value length (HVL), mean free path (mfp), effective atomic number (Zeff) and Effective electron density (Neff) with the amount of La2O3 (0, 2.5, 5, 7.5 mol%) in glass samples was studied. The Phy-X/PSD program was utilized for this purpose. The results demonstrate that LaO-7.5 (with composition of 40MgO–30SiO2 – 22.5B2O3–7.5La2O3) has the highest LAC value out of the prepared glasses, while LaO-0 has the lowest.

Atomic screening and e+e− pair photoproduction at low energies

The effect of screening by atomic electrons on the behavior of electron and positron wave functions in the continuous spectrum at small distances is studied. It is shown that these asymptotics are affected not only by the static potential of atomic electrons, but also by the polarization potential, as well as by the exchange interaction, which is essential for nonrelativistic electrons. A simple analytical expression is obtained for the photoproduction cross section of e+e− pair in an atomic field near the threshold. The spectrum and angular distribution of the produced particles are considered. It is shown that screening significantly affects the cross section in the near-threshold region.

Moiré Superlattice Structure of Pleated Trilayer Graphene Imaged by 4D Scanning Transmission Electron Microscopy.

Moiré superlattices in graphene arise from rotational twists in stacked 2D layers, leading to specific band structures, charge density and interlayer electron and excitonic interactions. The periodicities in bilayer graphene moiré lattices are given by a simple moiré basis vector that describes periodic oscillations in atomic density. The addition of a third layer to form trilayer graphene generates a moiré lattice comprised of multiple harmonics that do not occur in bilayer systems, leading to nontrivial crystal symmetries. Here, we use atomic resolution 4D-scanning transmission electron microscopy to study atomic structure in bilayer and trilayer graphene moiré superlattices and use 4D-STEM to map the electric fields to show subtle variations in the long-range moiré patterns. We show that monolayer graphene folded into an S-bend graphene pleat produces trilayer moiré superlattices with both small (<2°) and larger twist angles (7-30°). Annular in-plane electric field concentrations are detected in high angle bilayers due to overlapping rotated graphene hexagons in each layer. The presence of a third low angle twisted layer in S-bend trilayer graphene, introduces a long-range modulation of the atomic structure so that no real space unit cell is detected. By directly imaging trilayer moiré harmonics that span from picoscale to nanoscale using 4D-STEM, we gain insights into the complex spatial distributions of atomic density and electric fields in trilayer twisted layered materials.

An Observation of a Very High Swelling of Bromovirus Members at Specific Ionic Strengths and pH.

Cowpea chlorotic mottle virus (CCMV) and brome mosaic virus (BMV) are naked plant viruses with similar characteristics; both form a T = 3 icosahedral protein capsid and are members of the bromoviridae family. It is well known that these viruses completely disassemble and liberate their genome at a pH around 7.2 and 1 M ionic strength. However, the 1 M ionic strength condition is not present inside cells, so an important question is how these viruses deliver their genome inside cells for their viral replication. There are some studies reporting the swelling of the CCMV virus using different techniques. For example, it is reported that at a pH~7.2 and low ionic strength, the swelling observed is about 10% of the initial diameter of the virus. Furthermore, different regions within the cell are known to have different pH levels and ionic strengths. In this work, we performed several experiments at low ionic strengths of 0.1, 0.2, and 0.3 and systematically increased the pH in 0.2 increments from 4.6 to 7.4. To determine the change in virus size at the different pHs and ionic strengths, we first used dynamic light scattering (DLS). Most of the experiments agree with a 10% capsid swelling under the conditions reported in previous works, but surprisingly, we found that at some particular conditions, the virus capsid swelling could be as big as 20 to 35% of the original size. These measurements were corroborated by atomic force microscopy (AFM) and transmission electron microscopy (TEM) around the conditions where the big swelling was determined by DLS. Therefore, this big swelling could be an easier mechanism that viruses use inside the cell to deliver their genome to the cell machinery for viral replication.

Graphenization of graphene oxide films for strongly anisotropic thermal conduction and high electromagnetic interference shielding

A macroscopic carbon film that has a “graphenic” structure (defect-free in-plane graphene lattice yet absence of Bernal type graphitic stacking order), may inherit the exotic properties of rotated/slipped few-layer graphene (e.g., high flexibility and anisotropic transport properties). However, the fabrication of such a film remains challenging and unreported. Here we show that the annealing of reduced electrochemical graphene oxide (REGO), which has fewer in-plane defects than the conventional graphene oxide from Hummers’ method, leads to a nearly intact graphene lattice (Raman ID/IG down to 0.03) without restoring the graphitic stacking order (I2D/IG > 1 and a single Lorentzian 2D peak). Atomic resolution transmission electron microscopy verifies the unique graphenic structure with random interlayer rotations. Density functional theory calculations imply the low defect density of REGO can suppress the interplanar interaction between undercoordinated carbon atoms, therefore inhibiting cross-plane migration of vacancies and the consequent establishment of stacking order. The annealed, graphenic REGO film is highly flexible and has an in-plane to cross-plane thermal conductivity ratio of 835 (among the highest reported for anisotropic thermal conductors). This high anisotropic ratio is attributed to the inhibited through-plane heat transport (0.26 W m−1 K−1) by the interlayer rotations and the high in-plane thermal conductivity (218 W m−1 K−1) enabled by intact graphene lattice. The graphenic films show high electromagnetic interference shielding effectiveness of 80.3 dB at a thickness of 53 μm and 42.4 dB at 5.7 μm, with an absolute effectiveness (>70000 dB cm2 g−1) superior to two-dimensional metal carbides (MXenes) and Al foil.

Probing Functional Structures, Defects, and Interfaces of 2D Transition Metal Dichalcogenides by Electron Microscopy

Abstract2D transition metal dichalcogenides (TMDs) exhibit remarkable properties that are strongly influenced by their atomic structures, as well as by various types of defects and interfaces that can be precisely engineered and controlled. These features make 2D TMDs and TMD‐based materials highly promising for a wide range of applications in electronics, optoelectronics, magnetism, spintronics, catalysis, energy, etc. By providing a comprehensive approach to understand the structure–property–functionality relationship in materials at the atomic scale, electron microscopy, and spectroscopy techniques have emerged as invaluable tools for studying both the static characteristics and dynamic evolutions of 2D TMDs. In this review, the primary focus lies in exploring intrinsic and artificial structures in TMDs and their heterostructures, along with their corresponding properties, through cutting‐edge aberration‐corrected scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). Additionally, recent advancements in the field of in situ visualization and manipulation of 2D TMDs using electron beams are highlighted. It is anticipated that the up‐to‐date overview provided, along with a glimpse into the future development of STEM‐based techniques, will make a substantial contribution to advancing research on 2D materials.

Atomic structure and electronic properties of Ce + O films co-adsorbed on Mo(112)

The atomic structure, stoichiometry and electron work function of Ce + O films co-adsorbed on Mo(112) were studied by low-energy electron diffraction (LEED), Auger electron spectroscopy (AES) and contact potential difference (CPD) methods. The films with a significant predominance of one major species show the structure characteristic of the main component, which remains stable up to 15−50% of the minor species content. We report the c(4 × 4) and c(2 × 6) superstructures for Ce + O films with single layer Ce coverage as well as c(4 × 6) and (2 × 2) for double layer Ce coverage. They are exclusively specific to the (Ce + O)/Mo(112) system and have not been previously observed neither for cerium oxides nor pure cerium/pure oxygen adfilms. No noticeable electron work function change was detected due to oxygen addition to the Ce/Mo(112) films. Both oxygen-enriched and oxygen-depleted (Ce + O) films show similar typical electropositive properties.

The effect of metal Ag nanoparticles on CdS/ZnTe heterojunction solar cells

Recent research on organic and inorganic solar cells has demonstrated that adding metal nanoparticles to the active layer can dramatically boost the performance of thin-film cells. In this research, Silver (Ag) nanoparticles have been added in CdS/ZnTe thin films that were prepared using the pulsed laser deposition (PLD) technique with laser energy ranging from (200-300 mJ). X-ray diffraction (XRD) analysis was used to examine the thin films of CdS and ZnTe for structural details. Atomic force microscopy (AFM) and scanning electron microscopy (SEM) were also employed to examine the morphology of the films. The typical rectifier behavior was seen using the current-voltage (I-V) characteristic curves. Furthermore, by studying the effect of adding silver (Ag) nanoparticles on the capacitance-voltage (C-V) characteristics.

Microstructure and properties of Al−2Mg−0.5Mn alloy with narrow crystallization temperature range realized by adding trace elements

The wide crystallization temperature range of Al−Mg alloys is a key factor for the surface defect formation during continuous casting and rolling process. To reduce the crystallization temperature range of the alloy, the influences of trace Zn, Si, Zr and Ti elements on the microstructure and properties of Al−2Mg−0.5Mn alloy were investigated. The X-ray photoelectron spectroscopy, atomic force microscopy, scanning and transmission electron microscopy were used for microstructural characterization. The Ti and Zr additions could refine the grain size and improve the strength of the Al−Mg−Mn alloy by forming Al3Ti and Al3Zr in the alloy, while the crystallization temperature ranges of these alloys were wider. It was revealed that Zn and Si additions could form new secondary phases with Mg in the alloy, thus reducing the actual Mg content during later eutectic solidification process. Therefore, the crystallization temperature range of Al−2Mg−0.5Mn−0.2Zn−0.2Si alloy was narrower than that of Al−2Mg−0.5Mn alloy. The mechanical properties and corrosion resistance of Al−2Mg−0.5Mn alloy were also improved by the additions of Zn and Si.

Local Electron Density Depletions in the Martian Upper Ionosphere Obtained From MARSIS: Comparison With ASPERA‐3, and MAVEN, and the Connection With Crustal Magnetic Fields

AbstractSteep electron density depletions in the Martian ionosphere are important, especially because they could be regions of significant plasma escape. Local electron density profiles of the Martian ionosphere obtained from the radar sounder onboard the Mars Express spacecraft often show large fluctuations. In some cases, these fluctuations are observed as deep depletions in the electron density. Investigation over the past 12 years of Mars Advanced Radar for Subsurface and Ionospheric Sounding data have revealed over 200 cases of density depletions where the lowest density is less than one fifth of the density in the surrounding regions. These density dips occur both on the dayside and the nightside, with an abundance between solar zenith angles of 50–70° and 100–120°. They occur at all altitudes in the ionosphere. Many of the depletions occur in the southern hemisphere where the crustal magnetic field is stronger and there are more regions where the crustal magnetic field is mostly vertical. In more than half of the cases, the depletion in the local electron density corresponds to a decrease in the electron flux measured with the Analyzer of Space Plasmas and Energetic Atoms electron spectrometer. Several different mechanisms could be responsible for the formation of the depletions, including regions of localized electric fields or magnetic fields creating areas of increased field pressure, escape of the plasma along magnetic field lines depleting density locally, and the density decrease around the photoelectron boundary followed by an increase in the plasma density due to plasma clouds.

Composite design of half-Heusler thermoelectrics: Selective doping of grain boundary phases in NbFeSb by InSb

Thermoelectric materials require complex microstructures to optimize the power conversion efficiency. Grain boundaries (GBs) reduce the thermal conductivity in nanocrystalline materials but often also reduce the electrical conductivity. We have recently shown that elemental segregation at GBs can make them electrically conductive or non-resistive and thereby improving the thermoelectric properties. Nevertheless, the doping elements participate in the chemistry within the grain matrix, which can limit the design space. In this work, we present an independent control of doping to the GBs. Specifically, we add InSb to Nb0.95Ti0.05FeSb to selectively modify the chemistry of the GBs without increasing the carrier concentration of the matrix. Using high resolution transmission electron microscopy and atom probe tomography, we understand the role of InSb in the selective modification of the chemistry of the GBs and we establish structure-property relationships between the chemistry of the GBs and their electrical behaviour. Incorporating InSb into the GBs successfully increases power factor and zTof fine-grained Nb0.95Ti0.05FeSb. We demonstrate that the negative impact of GBs in the power factor can be overcome by GB engineering.

Quadrupole Effects in the Photoionisation of Sodium 3s in the Vicinity of the Dipole Cooper Minimum

A procedure to obtain relativistic expressions for photoionisation angular distribution parameters using the helicity formulation is discussed for open-shell atoms. Electric dipole and quadrupole transition matrix elements were considered in the present work, to study the photoionisation dynamics of the 3s electron of the sodium atom in the vicinity of the dipole Cooper minimum. We studied dipole–quadrupole interference effects on the photoelectron angular distribution in the region of the dipole Cooper minimum. Interference with quadrupole transitions was found to alter the photoelectron angular distribution, even at rather low photon energies. The initial ground and final ionised state discrete wavefunctions of the atom were obtained in the present work using GRASP, and we employed RATIP with discrete wavefunctions, to construct continuum wavefunctions and to calculate transition amplitudes, total cross-sections and angular distribution asymmetry parameters.