Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “layers”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Stabilizing Anionic Redox Chemistry in a Mn-Based Layered Oxide Cathode Constructed by Li-Deficient Pristine State

Li-rich cathode materials are of significant interest for coupling anionic redox with cationic redox chemistry to achieve high-energy-density batteries. However, lattice oxygen loss and derived structure distortion would induce serious capacity loss and voltage decay, further hindering its practical application. Herein, a novel Li-rich cathode material, O3-type Li 0.6 [Li 0.2 Mn 0.8 ]O 2 , is developed with the pristine state displaying both a Li excess in the transition metal layer and a deficiency in the alkali metal layer. Benefiting from stable structure evolution and Li migration processes, not only can high reversible capacity (≈329 mAh g -1 ) be harvested but also irreversible/reversible anionic/cationic redox reactions are comprehensively assigned via the combination of in/ex situ spectroscopies. Furthermore, irreversible lattice oxygen loss and structure distortion are effectively restrained, resulting in long-term cycle stability (capacity drop of 0.045% per cycle, 500 cycles). Altogether, tuning the Li state in the alkali metal layer presents a promising way for modification of high-capacity Li-rich cathode candidates.

anionic redox reactions↗
DOE OSTI2017

Spatial representation of organic carbon and active-layer thickness of high latitude soils in CMIP5 earth system models

Soil properties such as soil organic carbon (SOC) stocks and active-layer thickness are used in earth system models (F.SMs) to predict anthropogenic and climatic impacts on soil carbon dynamics, future changes in atmospheric greenhouse gas concentrations, and associated climate changes in the permafrost regions. Accurate representation of spatial and vertical distribution of these soil properties in ESMs is a prerequisite for redudng existing uncertainty in predicting carbon-climate feedbacks. We compared the spatial representation of SOC stocks and active-layer thicknesses predicted by the coupled Modellntercomparison Project Phase 5 { CMIP5) ESMs with those predicted from geospatial predictions, based on observation data for the state of Alaska, USA. For the geospatial modeling. we used soil profile observations {585 for SOC stocks and 153 for active-layer thickness) and environmental variables (climate, topography, land cover, and surficial geology types) and generated fine-resolution (50-m spatial resolution) predictions of SOC stocks (to 1-m depth) and active-layer thickness across Alaska. We found large inter-quartile range (2.5-5.5 m) in predicted active-layer thickness of CMIP5 modeled results and small inter-quartile range (11.5-22 kg m-2) in predicted SOC stocks. The spatial coefficient of variability of active-layer thickness and SOC stocks were lower in CMIP5 predictions compared to our geospatial estimates when gridded at similar spatial resolutions (24.7 compared to 30% and 29 compared to 38%, respectively). However, prediction errors. when calculated for independent validation sites, were several times larger in ESM predictions compared to geospatial predictions. Primaly factors leading to observed differences were ( 1) lack of spatial heterogeneity in ESM predictions, (2) differences in assumptions concerning environmental controls, and (3) the absence of pedogenic processes in ESM model structures. Our results suggest that efforts to incorporate these factors in F.SMs should reduce current uncertainties associated with ESM predictions of carbon-climate feedbacks.

Active-layer thickness↗
DOE OSTI2014

Multilayered gold/silica nanoparticulate bilayer devices using layer-by-layer self organisation for flexible bending and pressure sensing applications

A pressure and bending sensor was fabricated using multilayer thin films fabricated on a flexible substrate based on layer-by-layer self-organization of 18 nm gold nanoparticles separated by a dielectric layer of 30 nm silica nanoparticles. 50, 75, and 100 gold-silica bi-layered films were deposited and the device characteristics were studied. A threshold voltage was required for electron conduction which increases from 2.4 V for 50 bi-layers to 3.3 V for 100 bi-layers. Upon bending of the device up to about 52°, the threshold voltage and slope of the I-V curves change linearly. Electrical characterization of the multilayer films was carried out under ambient conditions with different pressures and bending angles in the direct current mode. This study demonstrates that the developed multilayer thin films can be used as pressure as well as bending sensing applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Enhancement of perpendicular magnetic anisotropy and transmission of spin-Hall-effect-induced spin currents by a Hf spacer layer in W/Hf/CoFeB/MgO layer structures

We report that strong perpendicular magnetic anisotropy of the ferromagnetic layer in a W/CoFeB/MgO multilayer structure can be established by inserting a Hf layer as thin as 0.25 nm between the W and CoFeB layers. The Hf spacer also allows transmission of spin currents generated by an in-plane charge current in the W layer to apply strong spin torque on the CoFeB, thereby enabling current-driven magnetic switching. The antidamping-like and field-like components of the spin torque exerted on a 1 nm CoFeB layer are of comparable magnitudes in this geometry. Both components originate from the spin Hall effect in the underlying W layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules

We report a rigorous full dimensional quantum dynamics algorithm, the multi-layer Lanczos method, for computing vibrational energies and dipole transition intensities of polyatomic molecules without any dynamics approximation. The multi-layer Lanczos method is developed by using a few advanced techniques including the guided spectral transform Lanczos method, multi-layer Lanczos iteration approach, recursive residue generation method, and dipole-wavefunction contraction. The quantum molecular Hamiltonian at the total angular momentum J = 0 is represented in a set of orthogonal polyspherical coordinates so that the large amplitude motions of vibrations are naturally described. In particular, the algorithm is general and problem-independent. An application is illustrated by calculating the infrared vibrational dipole transition spectrum of CH{sub 4} based on the ab initio T8 potential energy surface of Schwenke and Partridge [Spectrochimica Acta, Part A 57, 887 (2001)] and the low-order truncated ab initio dipole moment surfaces of Yurchenko et al. [J. Mol. Spectrosc. 291, 69 (2013)]. A comparison with experiments is made. The algorithm is also applicable for Raman polarizability active spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Interface engineering in epitaxial growth of layered oxides via a conducting layer insertion

There is a long-standing challenge in the fabrication of layered oxide epitaxial films due to their thermodynamic phase-instability and the large stacking layer number. Recently, the demand for high-quality thin films is strongly pushed by their promising room-temperature multiferroic properties. Here, we find that by inserting a conducting and lattice matched LaNiO{sub 3} buffer layer, high quality m = 5 Bi{sub 6}FeCoTi{sub 3}O{sub 18} epitaxial films can be fabricated using the laser molecular beam epitaxy, in which the atomic-scale sharp interface between the film and the metallic buffer layer explains the enhanced quality. The magnetic and ferroelectric properties of the high quality Bi{sub 6}FeCoTi{sub 3}O{sub 18} films are studied. This study demonstrates that insertion of the conducting layer is a powerful method in achieving high quality layered oxide thin films, which opens the door to further understand the underline physics and to develop new devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Al{sub 2}O{sub 3} as a suitable substrate and a dielectric layer for n-layer MoS{sub 2}

Sapphire (α-Al{sub 2}O{sub 3}) is a common substrate for the growth of single- to few-layer MoS{sub 2} films, and amorphous aluminium oxide serves as a high-κ dielectric gate oxide for MoS{sub 2} based transistors. Using density-functional theory calculations with a van der Waals functional, we investigate the structural, energetic, and electronic properties of n-layer MoS{sub 2} (n = 1and 3) on the α-Al{sub 2}O{sub 3} (0001) surface. Our results show that the sapphire stabilizes single-layer and tri-layer MoS{sub 2}, while having a negligible effect on the structure, band gap, and electron effective masses of MoS{sub 2}. This combination of a strong energetic stabilization and weak perturbation of the electronic properties shows that α-Al{sub 2}O{sub 3} can serve as an ideal substrate for depositing ultra-thin MoS{sub 2} layers and can also serve as a passivation or gate-oxide layer for MoS{sub 2} based devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Amorphous silicon carbide passivating layers for crystalline-silicon-based heterojunction solar cells

Amorphous silicon enables the fabrication of very high-efficiency crystalline-silicon-based solar cells due to its combination of excellent passivation of the crystalline silicon surface and permeability to electrical charges. Yet, amongst other limitations, the passivation it provides degrades upon high-temperature processes, limiting possible post-deposition fabrication possibilities (e.g., forcing the use of low-temperature silver pastes). We investigate the potential use of intrinsic amorphous silicon carbide passivating layers to sidestep this issue. The passivation obtained using device-relevant stacks of intrinsic amorphous silicon carbide with various carbon contents and doped amorphous silicon are evaluated, and their stability upon annealing assessed, amorphous silicon carbide being shown to surpass amorphous silicon for temperatures above 300 °C. We demonstrate open-circuit voltage values over 700 mV for complete cells, and an improved temperature stability for the open-circuit voltage. Transport of electrons and holes across the hetero-interface is studied with complete cells having amorphous silicon carbide either on the hole-extracting side or on the electron-extracting side, and a better transport of holes than of electrons is shown. Also, due to slightly improved transparency, complete solar cells using an amorphous silicon carbide passivation layer on the hole-collecting side are demonstrated to show slightly better performances even prior to annealing than obtained with a standard amorphous silicon layer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Electrical properties of GaAs metal–oxide–semiconductor structure comprising Al{sub 2}O{sub 3} gate oxide and AlN passivation layer fabricated in situ using a metal–organic vapor deposition/atomic layer deposition hybrid system

This paper presents a compressive study on the fabrication and optimization of GaAs metal–oxide–semiconductor (MOS) structures comprising a Al{sub 2}O{sub 3} gate oxide, deposited via atomic layer deposition (ALD), with an AlN interfacial passivation layer prepared in situ via metal–organic chemical vapor deposition (MOCVD). The established protocol afforded self-limiting growth of Al{sub 2}O{sub 3} in the atmospheric MOCVD reactor. Consequently, this enabled successive growth of MOCVD-formed AlN and ALD-formed Al{sub 2}O{sub 3} layers on the GaAs substrate. The effects of AlN thickness, post-deposition anneal (PDA) conditions, and crystal orientation of the GaAs substrate on the electrical properties of the resulting MOS capacitors were investigated. Thin AlN passivation layers afforded incorporation of optimum amounts of nitrogen, leading to good capacitance–voltage (C–V) characteristics with reduced frequency dispersion. In contrast, excessively thick AlN passivation layers degraded the interface, thereby increasing the interfacial density of states (D{sub it}) near the midgap and reducing the conduction band offset. To further improve the interface with the thin AlN passivation layers, the PDA conditions were optimized. Using wet nitrogen at 600 °C was effective to reduce D{sub it} to below 2 × 10{sup 12} cm{sup −2} eV{sup −1}. Using a (111)A substrate was also effective in reducing the frequency dispersion of accumulation capacitance, thus suggesting the suppression of traps in GaAs located near the dielectric/GaAs interface. The current findings suggest that using an atmosphere ALD process with in situ AlN passivation using the current MOCVD system could be an efficient solution to improving GaAs MOS interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Theory of multiple quantum dot formation in strained-layer heteroepitaxy

We develop a theory for the experimentally observed formation of multiple quantum dots (QDs) in strained-layer heteroepitaxy based on surface morphological stability analysis of a coherently strained epitaxial thin film on a crystalline substrate. Using a fully nonlinear model of surface morphological evolution that accounts for a wetting potential contribution to the epitaxial film's free energy as well as surface diffusional anisotropy, we demonstrate the formation of multiple QD patterns in self-consistent dynamical simulations of the evolution of the epitaxial film surface perturbed from its planar state. The simulation predictions are supported by weakly nonlinear analysis of the epitaxial film surface morphological stability. We find that, in addition to the Stranski-Krastanow instability, long-wavelength perturbations from the planar film surface morphology can trigger a nonlinear instability, resulting in the splitting of a single QD into multiple QDs of smaller sizes, and predict the critical wavelength of the film surface perturbation for the onset of the nonlinear tip-splitting instability. The theory provides a fundamental interpretation for the observations of “QD pairs” or “double QDs” and other multiple QDs reported in experimental studies of epitaxial growth of semiconductor strained layers and sets the stage for precise engineering of tunable-size nanoscale surface features in strained-layer heteroepitaxy by exploiting film surface nonlinear, pattern forming phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effect of heavy metal layer thickness on spin-orbit torque and current-induced switching in Hf|CoFeB|MgO structures

We study the heavy metal layer thickness dependence of the current-induced spin-orbit torque (SOT) in perpendicularly magnetized Hf|CoFeB|MgO multilayer structures. The damping-like (DL) current-induced SOT is determined by vector anomalous Hall effect measurements. A non-monotonic behavior in the DL-SOT is found as a function of the thickness of the heavy-metal layer. The sign of the DL-SOT changes with increasing the thickness of the Hf layer in the trilayer structure. As a result, in the current-driven magnetization switching, the preferred direction of switching for a given current direction changes when the Hf thickness is increased above ∼7 nm. Although there might be a couple of reasons for this unexpected behavior in DL-SOT, such as the roughness in the interfaces and/or impurity based electric potential in the heavy metal, one can deduce a roughness dependence sign reversal in DL-SOT in our trilayer structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Fabrication of quantum dots in undoped Si/Si{sub 0.8}Ge{sub 0.2} heterostructures using a single metal-gate layer

Enhancement-mode Si/SiGe electron quantum dots have been pursued extensively by many groups for their potential in quantum computing. Most of the reported dot designs utilize multiple metal-gate layers and use Si/SiGe heterostructures with Ge concentration close to 30%. Here, we report the fabrication and low-temperature characterization of quantum dots in the Si/Si{sub 0.8}Ge{sub 0.2} heterostructures using only one metal-gate layer. We find that the threshold voltage of a channel narrower than 1 μm increases as the width decreases. The higher threshold can be attributed to the combination of quantum confinement and disorder. We also find that the lower Ge ratio used here leads to a narrower operational gate bias range. The higher threshold combined with the limited gate bias range constrains the device design of lithographic quantum dots. We incorporate such considerations in our device design and demonstrate a quantum dot that can be tuned from a single dot to a double dot. The device uses only a single metal-gate layer, greatly simplifying device design and fabrication.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Investigation of Interfacial Layer for Friction Stir Scribe Welded Aluminum to Steel Joints

Friction stir scribe (FSS) welding as a recent derivative of friction stir welding has successfully fabricated a linear joint between automotive Al and steel sheets. However, there is a lack of understanding on its bonding mechanism. In this paper, the microstructures and phases at the bonding interface of FSS welded Al to ultra-high strength steel joints were studied using scanning electron microscopy and transmission electron microscopy. Based on the microstructural analysis, it is found that both mechanical and chemical bonding occurred simultaneously, and the energy-dispersive X-ray spectroscopy revealed that a thin intermetallic compound (IMC) layer was formed at the interface. Owing to the varied material flow and heat generation, the IMC layer thickness gradually decreased from the advancing side to the retreating side, and two IMCs (i.e. Fe2Al5 and Fe4Al13) were confirmed in different weld regions using diffraction pattern (or 1D fast Fourier transform pattern). Also, a Fe/Al solid solution was noticed in the IMC layer, and several Al fringes were found in the Fe-rich side in the scribe stir zone.

friction stir scribe welding, interfacial layer, i↗
DOE OSTI2015

Aperture-time of oxygen-precursor for minimum silicon incorporation into the interface-layer in atomic layer deposition-grown HfO{sub 2}/Si nanofilms

Hafnium oxide nanofilms were grown with atomic layer deposition on H-terminated Si (001) wafers employing tetrakis dimethyl amino hafnium (TDMA-Hf) and water as precursors. While the number of cycles (30) and the aperture-time for TDMA-Hf (0.08 s) were kept constant, the aperture-time (τ{sub H{sub 2O}}) for the oxidant-agent (H{sub 2}O) was varied from 0 to 0.10 s. The structure of the films was characterized with robust analysis employing angle-resolved x-ray photoelectron spectroscopy. In addition to a ∼1 nm hafnium oxide layer, a hafnium silicate interface layer, also ∼1 nm thick, is formed for τ{sub H{sub 2O}} > 0. The incorporation degree of silicon into the interface layer (i.e., the value of 1 − x in Hf{sub x}Si{sub 1−x}O{sub y}) shows a minimum of 0.32 for τ{sub H{sub 2O}} = 0.04 s. By employing the simultaneous method during peak-fitting analysis, it was possible to clearly resolve the contribution from the silicate and from oxide to the O 1s spectra, allowing for the assessment of the oxygen composition of each layer as a function of oxidant aperture time. The uncertainties of the peak areas and on the thickness and composition of the layers were calculated employing a rigorous approach.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Highly Efficient Layer-by-Layer Processed Quaternary Organic Solar Cells with Improved Charge Transport and Reduced Energy Loss

We report how to improve charge transport properties and reduce energy losses are the two main challenges of organic solar cells (OSCs). Herein, a new device fabrication strategy that combines the layer-by-layer (LBL) method and a quaternary active layer is demonstrated to realize highly efficient photovoltaic performance of the OSCs based on PM6:PM7/Y6:O1-2F. The introduction of the second donor, PM7,forms a cascade energy-level alignment with PM6 that facilitates effective charge transfer. The second acceptor, O1-2F, which is poorly miscible with the donors, helps to reduce the miscibility between the donors and acceptors, and thus delivers a more desirable vertical phase separation of the active layer. Furthermore, the alloy acceptor of O1-2F and Y6 can optimize the horizontal and vertical morphology of the active layer, forming an effective charge separation and continuous charge transport channel. As a result, the PM6:PM7/Y6:O1-2F system shows a distinct increase in charge mobility and a reduced nonradiative lossΔVnrof 0.231 V compared to the PM6/Y6 system, achieving a high-power conversion efficiency of18.23%. The results indicate that the quaternary LBL OSCs are promising for future large-scale and industrial manufacture of the OSCs.

14 SOLAR ENERGY↗