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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.

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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Oxide Two‐Dimensional Electron Gas with High Mobility at Room‐Temperature

Abstract The prospect of 2‐dimensional electron gases (2DEGs) possessing high mobility at room temperature in wide‐bandgap perovskite stannates is enticing for oxide electronics, particularly to realize transparent and high‐electron mobility transistors. Nonetheless only a small number of studies to date report 2DEGs in BaSnO 3 ‐based heterostructures. Here, 2DEG formation at the LaScO 3 /BaSnO 3 (LSO/BSO) interface with a room‐temperature mobility of 60 cm 2 V −1 s −1 at a carrier concentration of 1.7 × 10 13 cm –2 is reported. This is an order of magnitude higher mobility at room temperature than achieved in SrTiO 3 ‐based 2DEGs. This is achieved by combining a thick BSO buffer layer with an ex situ high‐temperature treatment, which not only reduces the dislocation density but also produces a SnO 2 ‐terminated atomically flat surface, followed by the growth of an overlying BSO/LSO interface. Using weak beam dark‐field transmission electron microscopy imaging and in‐line electron holography technique, a reduction of the threading dislocation density is revealed, and direct evidence for the spatial confinement of a 2DEG at the BSO/LSO interface is provided. This work opens a new pathway to explore the exciting physics of stannate‐based 2DEGs at application‐relevant temperatures for oxide nanoelectronics.

2-dimensional electron gas↗
DOE OSTI2020

Fibrous Materials for Flexible Li–S Battery

The lithium–sulfur (Li–S) battery is an attractive high-energy-density technology for future flexible and wearable electronics, but it is a challenge to simultaneously realize adequate flexibility, stability, and energy density. Recent studies show that fibrous materials are promising to achieve flexible batteries with high energy density, by taking advantages of their intrinsic flexibility, lightweight, large surface area, and cost-effectiveness. With a good tunability of the structure and function, fibrous materials can be suitable to construct various components of a working battery, including current collectors, buffer layers, interlayers, and solid-state electrolytes. In this review, we summarize the recent development of fibrous materials for flexible Li–S batteries, with an emphasis on the discussion of the synthesis and preparation of materials, design of fibrous structures and functionalities, and layout of battery cells for achieving high Coulombic efficiency, long cycle life, and good flexibility.

25 ENERGY STORAGE↗
DOE OSTI2023

High Sulfur Loading and Capacity Retention in Bilayer Garnet Sulfurized‐Polyacrylonitrile/Lithium‐Metal Batteries with Gel Polymer Electrolytes

The cubic‐garnet (Li 7 La 3 Zr 2 O 12 , LLZO) lithium–sulfur battery shows great promise in the pursuit of achieving high energy densities. The sulfur used in the cathodes is abundant, inexpensive, and possesses high specific capacity. In addition, LLZO displays excellent chemical stability with Li metal; however, the instabilities in the sulfur cathode/LLZO interface can lead to performance degradation that limits the development of these batteries. Therefore, it is critical to resolve these interfacial challenges to achieve stable cycling. Here, an innovative gel polymer buffer layer to stabilize the sulfur cathode/LLZO interface is created. Employing a thin bilayer LLZO (dense/porous) architecture as a solid electrolyte and significantly high sulfur loading of 5.2 mg cm −2 , stable cycling is achieved with a high initial discharge capacity of 1542 mAh g −1 (discharge current density of 0.87 mA cm −2 ) and an average discharge capacity of 1218 mAh g −1 (discharge current density of 1.74 mA cm −2 ) with 80% capacity retention over 265 cycles, at room temperature (22 °C) and without applied pressure. Achieving such stability with high sulfur loading is a major step in the development of potentially commercial garnet lithium–sulfur batteries.

25 ENERGY STORAGE↗
DOE OSTI2023

Thermodynamic Understanding of Impurity Phase Segregation in a PdCrO 2 /CuCrO 2 Heterostructure

Abstract PdCrO 2 films are synthesized on CuCrO 2 buffer layers on Al 2 O 3 substrates. This synthesis is accompanied by impurity phase segregation, which hampers the synthesis of high quality PdCrO 2 films. Potential causes ofth impurity phase segregation are studied by using a combination of experiments and ab initio calculations. X‐ray diffraction and scanning transmission electron microscopy experiments reveal impurity phases of Cu x Pd 1 − x alloy and chromium oxides, Cr 2 O 3 and Cr 3 O 4 , in PdCrO 2 . Calculations determine that oxygen deficiency can cause the impurity phase segregation. Therefore, preventing oxygen release from delafossites can suppress the impurity phase segregation. The amounts of Cr 2 O 3 and Cr 3 O 4 depend on temperature and oxygen partial pressure. A reasonable theory‐based explanation for this experimental observation is provided.

2D metal↗
DOE OSTI2019

Electronic structure of GaP/Si (001) heterojunctions and the role of hydrogen passivation

Abstract Epitaxially grown single crystal GaP on Si is of considerable interest due to being nearly lattice matched to Si, making it attractive for III‐V/Si solar cells. GaP has been used as a buffer layer for III‐V/Si solar cells and also in selective contact Si solar cells. The performance and functionality of such devices are strongly influenced by the presence of localized states at the GaP/Si interface. Here, we examine the electronic structure of GaP/Si(001) heterojunctions and the effect of hydrogen (H) passivation at the interface, in contrast to interface mixing, through density functional theory calculations. Our calculations show that due to the heterovalent mismatch nature of the GaP/Si interface, there is a high density of localized states at the abrupt GaP/Si interface due to the excess charge associated with heterovalent bonding, as reported elsewhere. We find that the addition of H leads to additional bonding at the interface, which mitigates the charge imbalance, and greatly reduces the density of localized states, leading to a nearly ideal heterojunction. A similar result is found with a completely intermixed interface (alternating cation and anion bonding) in terms of low interface state density. However, when the intermixing occurs through single‐layer or double‐layer terraces, the benefits of intermixing are lost and the interface state density reverts more to the abrupt interface case.

Meidanshahi, Reza Vatan↗
DOE OSTI2018

Optimization of BaHfO{sub 3} Doping Concentration as Secondary Phase in Y{sub 0.5}Gd{sub 0.5}Ba{sub 2}Cu{sub 3}O{sub 7−x} Thin Film Prepared by Pulsed Laser Deposition

BaHfO{sub 3} (BHO)-doped Y{sub 0.5}Gd{sub 0.5}Ba{sub 2}Cu{sub 3}O{sub 7−x} (YGBCO) films with a series of doping concentrations (1, 3, 5, and 10 mol%) were fabricated on CeO{sub 2} buffer layers by pulsed laser deposition (PLD) technique, and a pristine YGBCO film was also deposited at the same conditions for comparison. X-ray diffraction (XRD) results showed that the undoped and doped YGBCO films had a pure c-axis orientation. While the surface morphology and crystal quality of the BHO-doped YGBCO films deteriorated as the BHO content increased, and the critical current density (J{sub c}) at 77 K and self-field (J{sub c}{sup 77,0}) and critical transition temperature (T{sub c}) of the BHO-doped YGBCO films exhibited varying degrees of decline in comparison with the pristine YGBCO film. However, the 5 mol% BHO-doped YGBCO film exhibited greatly enhanced the J{sub c} and the highest pinning force densities (F{sub p}) at both 4.2 and 65 K, which showed the maximum value of 5776 GN/m{sup 3} (4.2 K, H//c) and 117 GN/m{sup 3} (65 K, H//c), about 1.5 times that of the undoped YGBCO film. Based on the results, the 5 mol% BHO-doped YGBCO film had the most effective flux pinning centers, which are responsible for strongly improved critical current densities in magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Structure and Anticorrosion, Friction, and Wear Characteristics of Pure Diamond-Like Carbon (DLC), Cr-DLC, and Cr-H-DLC Films on AZ91D Mg Alloy

This study evaluated the protection against corrosion and wear afforded to AZ91D Mg alloy by coatings of hydrogen-free and low-Cr-doped hydrogenated diamond-like carbon (DLC) films. The microstructure and corrosion resistance were evaluated using scanning electron microscopy, atomic force microscopy, Raman spectroscopy, polarization curves, and neutral salt spraying tests. Wear tests were performed to investigate the friction and wear behaviors of the samples against 9Cr18 in humid air, deionized water, and 3.5 wt.% NaCl solution using a reciprocating sliding test in the ball-on-disk mode. The results showed that the more compact Cr-H-DLC film improved the corrosion resistance of the Mg alloy, whereas the Cr-DLC film accelerated the corrosion in the 3.5 wt.% NaCl solution. All Mg alloy samples coated with DLC films exhibited low coefficient of friction (COF) values and smaller wear volumes compared with those of bare substrate in air, water, or NaCl solution. The Cr-DLC film presented the lowest COF and wear rate in air, but the worst corrosion protection in air and NaCl solution, whereas the converse was found for the Cr-H-DLC film. Unfortunately, all coated samples showed limited protection ability because of pore defects in the films, high galvanic potential between the substrate and the buffer layer or film, and high electrical conductivity, which caused severe tribocorrosion of the Mg alloy during the wear tests in NaCl solution. The corrosion protection ability of DLC films is key to the wear resistance protection of Mg alloys in water or NaCl solution.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microstructure and magnetic properties of (001) textured L1(0) FePt films on amorphous glass substrate

L1(0) FePt thin films with an island-like morphology and magnetic perpendicular anisotropy were grown at low temperature (300 < T-dep< 375 degrees C) by magnetron sputtering on Hoya glass substrates using a 30-nm thick Cr (2 0 0) underlayer. An MgO buffer layer with a thickness of 2 nm was used to inhibit the diffusion from the Cr underlayer and promote the growth of (0 0 1) oriented L1(0) FePt films by inducing an in-plane lattice distortion. By varying the substrate temperature and the Ar sputter pressure (3.5 < P-Ar< 15 mTorr) during the deposition, the degree of chemical order, the microstructure and the magnetic properties were tuned and the best properties in term of squareness ratio (M-r/M-s similar to 0.95) and coercive field (H-c similar to 14 kOe) were observed for films deposited at T-dep = 350 degrees C and P-Ar= 5 mTorr, due to the appearance of a tensile strain, which favors the perpendicular anisotropy. The analysis of the angular dependence of remanent magnetization curves on the optimized sample suggests that the magnetization reversal is highly incoherent due to the inter-island interactions. Our results provide useful information on the low temperature growth of FePt films with perpendicular anisotropy onto glass substrates, which are relevant for a variety of technological applications, such as magnetic recording and spintronic devices. (C) 2015 Elsevier B.V. All rights reserved.

Speliotis, T↗
DOE OSTI2017

Manipulation of Dirac cones in intercalated epitaxial graphene

Graphene is an intriguing material in view of its unique Dirac quasi-particles, and the manipulation of its electronic structure is important in material design and applications. Here, we theoretically investigate the electronic band structure of epitaxial graphene on SiC with intercalation of rare earth metal ions (e.g., Yb and Dy) using first-principles calculations. We can use the intercalation to control the coupling of the constituent components (buffer layer, graphene, and substrate), resulting in strong modification of the graphene band structure. We also demonstrate that the metal-intercalated epitaxial graphene has tunable band structures by controlling the energies of Dirac cones as well as the linear and quadratic band dispersion depending on the intercalation layer and density. Thus, the metal intercalation is a viable method to manipulate the electronic band structure of the epitaxial graphene, which can enhance the functional utility and controllability of the material.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Interface stability of LiCl-rich argyrodite Li 6 PS 5 Cl with propylene carbonate boosts high-performance lithium batteries

In solid-state lithium (Li)-metal batteries (SSLMBs), sulfide-based Li-ion conductors represent one of the most popular solid electrolytes (SEs). However, the development of sulfide-based SSLMBs is significantly hampered by interfacial issues including large solid-solid contact resistance and serious side reactions at the SE/electrode interface. To address these issues, here, we demonstrated a simple and efficient strategy by using LiCl-rich argyrodite Li 6 PS 5 Cl (Li 6 PS 5 Cl-LiCl) SE and trace amount of propylene carbonate (PC) at the SE/electrode interface to facilitate the formation of stable and robust solid electrolyte interphase (SEI). Additionally, the formed SEI not only serves as a buffer layer to passivate the interfacial reactions and suppress Li dendrite growth, but also acts as a bridge for Li-ion conduction to reduce the contact resistance. As a result, the Li||Li symmetric cell exhibited long-term electrochemical cycling stability over 1000 h at a current density of 0.2 mA cm -2 . Furthermore, the assembled Li||Li 4 Ti 5 O 12 (LTO) batteries delivered a specific capacity of 175 mAh g–1 at 0.2 C, and remained an excellent specific capacity of 116 mAh g –1 after 200 cycles at a high current rate of 1 C. These features indicate a feasible strategy to enhance the interfacial property of high-performance SSLMBs.

25 ENERGY STORAGE↗
DOE OSTI2022

An economic analysis of the role of materials, system engineering, and performance in electrochemical carbon dioxide conversion to formate

The development of technologies that utilize carbon dioxide is important to mitigating climate change. The electrochemical reduction of carbon dioxide is one technology that can utilize greenhouse gasses that would be otherwise be emitted to the atmosphere by producing chemicals and fuels from carbon dioxide and electricity. Significant progress has been made in the experimental performance of carbon dioxide reduction systems with novel catalyst designs, new materials, and systems engineering; however, no work has linked such changes in stack design and materials to capital costs for the stack itself. In this study, we present an analysis that accounts for and analyzes the impacts of alternative materials and system architectures on manufactured costs of carbon dioxide reduction stacks, thus providing a framework to understand exactly how these advances impact the at-scale capital costs of these systems. Specifically, we consider the impact that the addition of a catholyte buffer layer has on an electrolyzer reducing carbon dioxide to formate, finding that the cost of manufacturing this part only increases stack costs by about $30/m 2 at high manufacturing rates, while previous work finds that this part improves system performance. This work shows that the links between system performance, materials, and costs are nonlinear, and that achieving low-cost scalability requires optimization of not just performance parameters but also the use of low-cost and highly scalable materials. These results bridge experimental and techno-economic analysis of processes for carbon dioxide reduction, informing researchers by providing a quantifiable estimate of the impact of advances in electrochemical carbon dioxide reduction technology on manufactured stack capital costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

MOCVD Surface Preparation of V-Groove Si for III-V Growth

V-groove nanopatterning of Si substrates has recently demonstrated promise for achieving high-quality III-V-on-Si epitaxy while providing a lower-cost processing route than chemo-mechanical polishing to produce epi-ready planar wafers. A key factor in determining the crystalline quality of III-V buffer layers is the Si surface structure and its chemical composition. Unlike planar Si surfaces, the surfaces of V-grooves prior to growth have not been studied in detail. Here, we study the surface of V-groove Si prepared for GaP nucleation via X-ray photoelectron spectroscopy and low-energy electron diffraction. We identify several pretreatments, using both 830 and 1000 annealing under an As background pressure, as being suitable for deoxidizing and cleaning the V-groove Si surface. The V-groove Si was found to behave similarly to reference Si(0 0 1) and Si(1 1 1) planar samples, demonstrating that in situ techniques such as reflection anisotropy spectroscopy can be used on reference samples to infer the state of the V-groove surface, and indicating that the extensive research on planar Si surfaces can be directly applied to V-grooves.

III-V epitaxy↗
DOE OSTI2014

Post-growth thermal oxidation of wurtzite InN thin films into body-center cubic In{sub 2}O{sub 3} for chemical/gas sensing applications

Post-growth thermal oxidations of InN have been studied using high-resolution x-ray diffraction (HRXRD) and secondary ion-mass spectroscopy (SIMS). The InN thin films, having relative high crystal quality, were grown by metal–organic chemical vapor deposition (MOCVD) on c-sapphire substrates using InGaN/GaN buffer layers. HRXRD reveals that oxidation of wurtzite InN into body-center cubic In{sub 2}O{sub 3} occurred at elevated temperatures. A Si{sub 3}N{sub 4} encapsulation improves the crystal quality of In{sub 2}O{sub 3} oxidized by using conventional rapid thermal annealing (RTA) but it results in the presence of undesired metallic indium. Cycle-RTA not only improves the crystal quality but also avoids the byproduct of metallic indium. SIMS depth profile, using contaminate elements as the ‘interface markers,’ provide evidence that the oxidation of InN is dominated by oxygen inward diffusion mechanism. Together with the HRXRD results, we conclude that the crystal quality of the resultant In{sub 2}O{sub 3}/InN heterostructure is mainly controlled by the balance between the speeds of oxygen diffusion and InN thermal dissociation, which can be effectively tuned by cycle-RTA. The obtained In{sub 2}O{sub 3}/InN heterostructures can be fundamental materials for studying high speed chemical/gas sensing devices. - Graphical abstract: Oxidation of h-InN into bcc-In{sub 2}O{sub 3} has been realized at elevated temperatures. A Si{sub 3}N{sub 4} cap improves the crystal quality of In{sub 2}O{sub 3} oxidized by conventional RTA but it results in the presence of undesired metallic indium. Cycle-RTA not only improves the crystal quality but also avoids the byproduct of metallic indium. SIMS depth profiles provide evidence that the oxidation of InN is dominated by oxygen inward diffusion mechanism. The crystal quality of the resultant In{sub 2}O{sub 3}/InN heterostructure is mainly controlled by the balance between the speeds of oxygen diffusion and InN thermal dissociation, which can be effectively tuned by cycle-RTA. - Highlights: • Oxidation of h-InN into bcc-In{sub 2}O{sub 3} has been realized at elevated temperatures. • Si{sub 3}N{sub 4} cap improves In{sub 2}O{sub 3} quality obtained by RTA but results in undesired indium. • Cycle-RTA not only improves the quality but also avoids the byproduct of indium. • The oxidation of InN is dominated by oxygen inward diffusion mechanism. • Cycle-RTA tunes the speeds of oxygen diffusion and InN thermal dissociation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Growth and characterization of periodically polarity-inverted ZnO structures on sapphire substrates

We report on the fabrication and characterization of periodically polarity inverted (PPI) ZnO heterostructures on (0 0 0 1) Al{sub 2}O{sub 3} substrates. For the periodically inverted array of ZnO polarity, CrN and Cr{sub 2}O{sub 3} polarity selection buffer layers are used for the Zn- and O-polar ZnO films, respectively. The change of polarity and period in fabricated ZnO structures is evaluated by diffraction patterns and polarity sensitive piezo-response microscopy. Finally, PPI ZnO structures with subnanometer scale period are demonstrated by using holographic lithography and regrowth techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Alignment nature of ZnO nanowires grown on polished and nanoscale etched lithium niobate surface through self-seeding thermal evaporation method

Highlights: • ZnO nanowires were grown directly on LiNbO{sub 3} surface for the first time by thermal evaporation. • Self-alignment of the nanowires due to step bunching of LiNbO{sub 3} surface is observed. • Increased roughness in surface defects promoted well-aligned growth of nanowires. • Well-aligned growth was then replicated in 50 nm deep trenches on the surface. • Study opens novel pathway for patterned growth of ZnO nanowires on LiNbO{sub 3} surface. - Abstract: High aspect ratio catalyst-free ZnO nanowires were directly synthesized on lithium niobate substrate for the first time through thermal evaporation method without the use of a buffer layer or the conventional pre-deposited ZnO seed layer. As-grown ZnO nanowires exhibited a crisscross aligned growth pattern due to step bunching of the polished lithium niobate surface during the nanowire growth process. On the contrary, scratches on the surface and edges of the substrate produced well-aligned ZnO nanowires in these defect regions due to high surface roughness. Thus, the crisscross aligned nature of high aspect ratio nanowire growth on the lithium niobate surface can be changed to well-aligned growth through controlled etching of the surface, which is further verified through reactive-ion etching of lithium niobate. The investigations and discussion in the present work will provide novel pathway for self-seeded patterned growth of well-aligned ZnO nanowires on lithium niobate based micro devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Anodic electrochemical performances of MgCo{sub 2}O{sub 4} synthesized by oxalate decomposition method and electrospinning technique for Li-ion battery application

Highlights: • MgCo{sub 2}O{sub 4} was prepared by oxalate decomposition method and electrospinning technique. • Electrospun MgCo{sub 2}O{sub 4} shows the reversible capacity of 795 and 227 mAh g{sup −1} oxalate decomposition MgCo{sub 2}O{sub 4} after 50 cycle. • Electrospun MgCo{sub 2}O{sub 4} show good cycling stability and electrochemical performance. - Abstract: Magnesium cobalt oxide, MgCo{sub 2}O{sub 4} was synthesized by oxalate decomposition method and electrospinning technique. The electrochemical performances, structures, phase formation and morphology of MgCo{sub 2}O{sub 4} synthesized by both the methods are compared. Scanning electron microscope (SEM) studies show spherical and fiber type morphology, respectively for the oxalate decomposition and electrospinning method. The electrospun nanofibers of MgCo{sub 2}O{sub 4} calcined at 650 °C, showed a very good reversible capacity of 795 mAh g{sup −1} after 50 cycles when compared to bulk material capacity of 227 mAh g{sup −1} at current rate of 60 mA g{sup −1}. MgCo{sub 2}O{sub 4} nanofiber showed a reversible capacity of 411 mAh g{sup −1} (at cycle) at current density of 240 mA g{sup −1}. Improved performance was due to improved conductivity of MgO, which may act as buffer layer leading to improved cycling stability. The cyclic voltammetry studies at scan rate of 0.058 mV/s show main cathodic at around 1.0 V and anodic peaks at 2.1 V vs. Li.

36 MATERIALS SCIENCE↗