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At least 1,765 records · Page 98

Estimation of the efficiency of the introduction of a porous layer into a silicon-on-sapphire structure substrate to enhance the reliability of devices under irradiation

We investigate the efficiency of the introduction of a porous layer into the substrate of a silicon-onsapphire structure by the implantation of He ions to enhance the radiation resistance of devices. The properties of the introduced layer and its parameters affecting the concentration of minority charge carriers generated by irradiation are analyzed. The reported results of the analysis and calculations can be used to optimize He-ion implantation conditions during the formation of a porous layer.

36 MATERIALS SCIENCE↗

Lead-Free Cs 4 CuSb 2 Cl 12 Layered Double Perovskite Nanocrystals

Concerns about the toxicity of lead-based perovskites have aroused great interest for the development of alternative lead-free perovskite-type materials. Recently, theoretical calculations predict that Pb 2+ cations can be substituted by a combination of Cu 2+ and Sb 3+ cations to form a vacancy-ordered layered double perovskite structure with superior optoelectronic properties. However, accessibilities to this class of perovskite-type materials remain inadequate, hindering their practical implementations in various applications. Here, we report the first colloidal synthesis of Cs 4 CuSb 2 Cl 12 perovskite-type nanocrystals (NCs). The resulting NCs exhibit a layered double perovskite structure with ordered vacancies and a direct bandgap of 1.79 eV. A composition-structure-property relationship has been established by investigating a series of Cs 4 Cu x Ag 2-2x Sb 2 Cl 12 perovskite-type NCs (0 ≤ x ≤ 1). The composition-induced crystal structure transformation, thus the electronic bandgap evolution has been explored by experimental observations and further confirmed by theoretical calculations. Taking advantages of both the unique electronic structure and solution processability, we demonstrate that the Cs 4 CuSb 2 Cl 12 NCs can be solution-processed as high-speed photodetectors with ultrafast photo-response and narrow bandwidth. We anticipate that our study will prompt future research to design and fabricate novel and high-performance lead-free perovskite-type NCs for a range of applications.

25 ENERGY STORAGE↗

An orthogonal decomposition of the axisymmetric jet mixing layer utilizing cross-wire velocity measurements

The structure of the mixing layer of the axisymmetric turbulent jet was investigated using cross-wire velocity measurements, which generated radial and streamwise cross-spectral data at eight radial positions and 25 azimuthal positions. The results show the existence of an azimuthal coherent ringlike structure dominated by axisymmetric mode near the potential core; however, from the center of the mixing layer out toward its low-speed side, the fourth, fifth, and sixth modes are dominating. A mechanism for the life cycle of coherent structures and for turbulence production in the axisymmetric jet mixing layer is proposed, which accounts for the observed phenomena and is amenable to dynamical analysis using the equations of motion.

Glauser, Mark N.↗

Beneath and Between: Structural, Functional, and Spectroscopic Measurements of Buried Interfaces and Interactions

Spectroscopic imaging tools and methods, based on scanning tunneling microscopes (STMs), are being developed and applied to examine buried layers and interfaces with ultrahigh resolution. These new methods measure buried contacts, molecule-substrate bonds, buried dipoles in molecular layers, and key structural aspects of adsorbed molecules, such as tilt angles. We are developing the ability to locate lateral projections of molecular parts as a means of determining the structures of molecular layers. We are developing the ability to measure the orientation of buried functionality.

47 OTHER INSTRUMENTATION↗

Patterning devices using fluorinated compounds

A method for producing a spatially patterned structure includes forming a layer of a material on at least a portion of a substructure of the spatially patterned structure, forming a barrier layer of a flourinated material on the layer of material to provide an intermediate structure, and exposing the intermediate structure to at least one of a second material or radiation to cause at least one of a chemical change or a structural change to at least a portion of the intermediate structure. The barrier layer substantially protects the layer of the material from chemical and structural changes during the exposing. Substructures are produced according to this method.

Katz, Howard E.↗

Patterning devices using fluorinated compounds

A method for producing a spatially patterned structure includes forming a layer of a material on at least a portion of a substructure of the spatially patterned structure, forming a barrier layer of a fluorinated material on the layer of material to provide an intermediate structure, and exposing the intermediate structure to at least one of a second material or radiation to cause at least one of a chemical change or a structural change to at least a portion of the intermediate structure. The barrier layer substantially protects the layer of the material from chemical and structural changes during the exposing. Substructures are produced according to this method.

Katz, Howard E.↗

Nanometer scale nonvolatile memory device and method for storing binary and quantum memory states

Example implementations include an electronic memory device with a metallic layer having a first planar crystalline structure, a first encapsulating layer including an encapsulating material having a second planar crystalline structure, and disposed adjacent to a first planar surface of the metallic layer, and a second encapsulating layer including the encapsulating material, and disposed adjacent to a second planar surface of the metallic layer. Example implementations also include a method of depositing graphite crystals onto a substrate to form a gate bottom layer, depositing BN crystals onto the graphite bottom layer to form a BN bottom layer, depositing tungsten ditelluride (WTe2) crystals onto the BN bottom layer to form a metallic layer, depositing the BN crystals onto the BN bottom layer and the metallic layer to form a BN top layer, and depositing the graphite crystals onto the BN top layer to form a gate top layer.

Xiao, Jun↗

Direct Simulations of Coupled Transport and Reaction on Nano-Scale X-Ray Computed Tomography Images of Platinum Group Metal-Free Catalyst Cathodes

The nano/micro-scale geometry of polymer electrolyte fuel cell (PEFC) catalyst layers critically affects cell performance. The small length scales and complex structure of these composite layers make it challenging to analyze cell performance and physics at the particle scale by experiment. We present a computational method to simulate transport and chemical reaction phenomena at the pore/particle-scale and apply it to a PEFC cathode with platinum group metal free (PGM-free) catalyst. Here, we numerically solve the governing equations for the physics with heterogeneous oxygen diffusion coefficient and proton conductivity evaluated using the actual electrode structure and ionomer distribution obtained using nano-scale resolution X-ray computed tomography (nano-CT). Using this approach, the oxygen concentration and electrolyte potential distributions imposed by the oxygen reduction reaction are solved and the impact of the catalyst layer structure on performance is evaluated.

36 MATERIALS SCIENCE↗

Light-Induced Structural Dynamics and Charge Transport in Layered Halide Perovskite Thin Films

The dynamic nature of the metal halide perovskite lattice upon photoexcitation plays a vital role in their properties. Here we report an observation of light-induced structure dynamics in quasi-2D Ruddlesden–Popper phase perovskite thin films and its impact on the carrier transport properties. By a time-resolved X-ray scattering technique, we observe a rapid lattice expansion upon photoexcitation, followed by a slow relaxation over the course of 100 ns in the dark. Theoretical modeling suggests that the expansion originates from the lattice’s thermal fluctuations caused by photon energy deposition. Power dependent optical spectroscopy and photoconductivity indicate that high laser powers triggered a strong local structural disorder, which increased the charge dissociation activation energy that results in localized transport. Finally, our study investigates the impact of laser energy deposition on the lattices and the subsequent carrier transport properties, that are relevant to device operations.

2D perovskites↗

Structural, electronic and magnetic properties of the MnGa(111)-1 $\times$ 2 and 2 $\times$ 2 reconstructions: Spin polarized first principles total energy calculations

In this work, using first principles total energy calculations within the periodic spin polarized density functional theory, we have investigated the structural, electronic, and magnetic properties of manganese gallium (MnGa) alloys. Specifically, we explore the MnGa(111)-1 $\times$ 2 and 2 $\times$ 2 reconstructions. The surface formation energies reveal that selected substitutions occur under Mn (Ga) rich growth conditions. Structures with top layers missing all Mn (Ga) atoms and two layers deep substitutions are also investigated. However, the formation energy shows that these structures are less favorable. For the stable structures, the magnetic properties per layer are proportional to the Mn:Ga ratio. Also, the density of states shows that the MnGa surfaces are metallic. The projected density of states shows that the electronic states in the vicinity of the Fermi level are due mainly to the manganese 3d orbitals. However charge density plots reveal that Mn 3d electrons are closer to the nucleus than Ga sp electrons. Consequently, experimental scanning tunneling microscopy images reveal periodically-arranged bright features, corresponding to the Ga atoms.

36 MATERIALS SCIENCE↗

Turbulence Structures in the Very Stable Boundary Layer Under the Influence of Wind Profile Distortion

Abstract In very stable boundary layers (VSBL), a “cocktail” of submeso motions routinely result in elevated mean wind speed maxima above the ground, acting as a new source of turbulence generation. This new source of turbulent kinetic energy enhances turbulent mixing and causes mean wind profile distortion (WPD). As a results, this transient distortion in the wind profile adjusts the classical log‐law. Addressing how WPD‐induced turbulence regulates flow structures, turbulent fluxes, and transitions in stability regimes across layers remains a challenge. Eddy covariance data measured at four levels on a 62‐m tower are employed to address these questions. It is shown that the WPD initiates large turbulent eddies that penetrate downward, leading to enhanced vertical mixing and comparable turbulent transport efficiencies across layers. As a consequence, turbulence intensity and fluxes are increased. As the WPD is intensified, turbulent fluxes and turbulent flux transport caused by large eddies are also enhanced, leading to a transition from very stable to weakly stable regimes. Due to the influence of WPD‐induced large eddies, the large‐eddy turbulent Prandtl number does not deviate appreciably from unity and the partitioning between turbulent kinetic and potential energies is linearly related to the gradient Richardson number.

Meteorology & Atmospheric Sciences↗

Defect Complexes in CrSBr Revealed Through Electron Microscopy and Deep Learning

Atomic defects underpin the properties of van der Waals materials, and their understanding is essential for advancing quantum and energy technologies. Scanning transmission electron microscopy is a powerful tool for defect identification in atomically thin materials, and extending it to multilayer and beam-sensitive materials would accelerate their exploration. Here, we establish a comprehensive defect library in a bilayer of the magnetic quasi-1D semiconductor CrSBr by combining atomic-resolution imaging, deep learning, and calculations. We apply a custom-developed machine learning work flow to detect, classify, and average point vacancy defects. This classification enables us to uncover several distinct Cr interstitial defect complexes, combined Cr and Br vacancy defect complexes, and lines of vacancy defects that extend over many unit cells. We show that their occurrence is in agreement with our computed structures and binding energy densities, reflecting the intriguing layer interlocked crystal structure of CrSBr. Our ab initio calculations show that the interstitial defect complexes give rise to highly localized electronic states. These states are of particular interest due to the reduced electronic dimensionality and magnetic properties of CrSBr and are, furthermore, predicted to be optically active. Our results broaden the scope of defect studies in challenging materials and reveal new defect types in bilayer CrSBr that can be extrapolated to the bulk and to over 20 materials belonging to the same FeOCl structural family.

deep learning↗

Vortical structure in a forced plane mixing layer

The objective of this phase of an ongoing study is to obtain detailed three dimensional phase-averaged measurements of forced mixing layer vorticity development and evolution. Acoustic forcing is being used to phase-lock the initial development and subsequent pairing of the span wise vortical structures. Phase averaged measurements of the three velocity components will permit the study of three dimensional vorticity distributions without invoking Taylor's hypothesis which is known to introduce uncertainty. Currently two sine waves, one at the fundamental roll-up frequency and the second, its subharmonic, are being used to force the initial roll-up and first pairing of the span wise rollers. The two dimensional measurements described in this report were obtained in order to determine the best operating conditions for the detailed three dimensional study of the mixing layer undergoing pairing via various pairing mechanisms.

Leboeuf, Richard L.↗

Methods for treating superconducting cavities

A system and method for treating a cavity comprises arranging a niobium structure in a coating chamber, the coating chamber being arranged inside a furnace, coating the niobium structure with tin thereby forming an Nb 3 Sn layer on the niobium structure, and doping the Nb 3 Sn layer with nitrogen, thereby forming a nitrogen doped Nb 3 Sn layer on the niobium structure.

Posen, Sam↗

Peculiarities of electromagnetic field distribution in a finite one-dimensional photonic crystal at oblique incidence of radiation

The effect of increasing an electric field E is investigated for oblique incidence of radiation on a finite one-dimensional photonic crystal. The peculiarities in the field distribution in the structure E(x) are found to be due to the interference of counterpropagating Bloch waves; therefore, the conditions for increasing the field to a maximum value |E|{sub max} coincide with those for achieving the maximum band gap E{sub g} of an infinite crystal. It is shown that a significant (several times for structures with 30 periods) growth of |E|{sub max} is observed with increasing angle of incidence θ for wavelengths λ, which correspond to transmission maxima T nearest to the band gap boundaries. The increased interference of the counterpropagating Bloch modes is caused by an enhancement of the x-component contrast (perpendicular to the planes of the layers) of the wave numbers k{sub 1x}/k{sub 2x} in the structure layers. Along with this, there also arise characteristic features in the distribution of E(x) associated with the vanishing of the forbidden band width. In this case, the field distribution in all periods is the same. Two types of such features are observed in the case of oblique incidence. The former takes place for p-polarisation at an angle of incidence θ, which is an analogue of the Brewster angle. The latter corresponds to the situation when the length of each structure layer is equal to an integer of half-waves. This occurs simultaneously for s- and p-polarisations and is observed in a limited range of layer widths only for the second and highest forbidden bands. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effect of Interlayer Co 2+ on Structure and Charge Transfer in NiFe Layered Double Hydroxides

We present that the intercalation of Co in Ni/Fe layered double hydroxides (LDH) significantly improves the electrocatalytic performance of the LDH for the oxygen evolution reaction. The mechanism behind the improvement and the structure of the Co-intercalated LDHs, however, is not precisely known. We use classical molecular dynamics (CMD) to study the impact of intercalated Co on the structure of Ni/Fe LDH and the electron transfer process. CMD studies find that the Co ions form small clusters, pushing apart the surrounding hydroxide sheets to form small “pockets” around these clusters, disrupting the planar nature of the sheets in the absence of intercalated Co clusters. The structure of the “pockets” is a strong function of force field parameters and the accuracy of the LDH bulk modulus. Lastly, we use umbrella sampling to study electron transfer and show that the clusters of Co in the interlayer are important for electron transfer, such that solvent molecules have greater freedom to reorient with a change in charge state, thereby reducing the barrier to electron transfer.

36 MATERIALS SCIENCE↗

Defect filtering for thermal expansion induced dislocations in III–V lasers on silicon

Epitaxially integrated III–V semiconductor lasers for silicon photonics have the potential to dramatically transform information networks, but currently, dislocations limit performance and reliability even in defect-tolerant InAs quantum dot (QD)-based lasers. Despite being below the critical thickness, QD layers in these devices contain previously unexplained misfit dislocations, which facilitate non-radiative recombination. We demonstrate here that these misfit dislocations form during post-growth cooldown due to the combined effects of (1) thermal-expansion mismatch between the III–V layers and silicon and (2) mechanical hardening in the active region. By incorporating an additional sub-critical thickness, indium-alloyed “misfit dislocation trapping layer,” we leverage these mechanical hardening effects to our advantage, displacing 95% of misfit dislocations from the QD layer in model structures. Unlike conventional dislocation mitigation strategies, the trapping layer reduces neither the number of threading dislocations nor the number of misfit dislocations. It simply shifts the position of misfit dislocations away from the QD layer, reducing the defects' impact on luminescence. In full lasers, adding a misfit dislocation trapping layer both above and below the QD active region displaces misfit dislocations and substantially improves performance: we measure a twofold reduction in lasing threshold currents and a greater than threefold increase in output power. Overall, our results suggest that devices employing both traditional threading dislocation reduction techniques and optimized misfit dislocation trapping layers may finally lead to fully integrated, commercially viable silicon-based photonic integrated circuits.

36 MATERIALS SCIENCE↗

Mixing control in a plane shear layer

An investigation of mixing processes in a plane shear layer by a direct numerical simulation with a high-order numerical technique, the isoparametric spectral element method, is presented. The computational domain includes a region with the splitter plate that allows to start the flow as a laminar (Blasius) boundary layers with different velocities and concentrations, merging in the shear layer and undergoing transition to highly-unsteady structures with intensive mixing. The augmentation of mixing as a function of a downstream location, the intensity and type of vortical structures in the layer is investigated by an introduction of disturbance at the high-velocity inflow. The character of the dynamic mixing is displayed along with time averaged profiles and statistical characteristics.

Korczak, K. Z.↗