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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 91 records · Page 5

Operando XPS for Plasma Process Monitoring: A Case Study on the Hydrogenation of Copper Oxide Confined under h-BN

Here, we demonstrate that ambient pressure x-ray photoelectron spectroscopy (APXPS) can be used for in situ studies of dynamic changes in surface chemistry in a plasma environment. This opens a new and vast application space for XPS and greatly complements modern spectroscopy techniques to probe plasma-solid/liquid interactions relevant to process monitoring in the semiconductor industry, bio-medical plasma applications and plasma remediation technologies. Hexagonal boron nitride (h-BN) grown on Cu was used in this study as a well-defined model system for plasma process monitoring and because of its unique chemical, optical and electrical properties that make it a prospective material for advanced electronics. To better understand the stability and surface chemistry of h-BN during plasma assisted processing, we track in real time the plasma-induced chemical state changes of B, N and the underlying Cu substrate using APXPS equipped with an AC discharge plasma source operating at 13 Pa. Residual gas analysis (RGA) mass-spectra were concurrently collected during plasma-XPS to track reaction products formed during plasma exposure. A clear reduction of Cu x O is seen, while an h-BN layer remains intact, suggesting hydrogen radical (H • ) species can attack the exposed and h-BN covered Cu oxide patches and partially reduce the underlying substrate without significantly damaging the overlaying h-BN, which is of practical importance for development of h-BN encapsulated devices and interfaces. In addition to demonstration of plasma-XPS capabilities we discuss the observed challenges (e.g., parasitic plasma-chamber walls reactions and charging effects) and propose potential solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Prediction of an alternative high-pressure route to polymeric carbon dioxide as a metastable energetic material

The use of pressure to obtain new materials that can be recovered under ambient conditions is a central problem in high-pressure physics. Despite decades of research, this goal has only been achieved in the laboratory for a few notable examples, such as diamond and cubic boron nitride. An area of significant interest is the transformation under compression of light-element molecular compounds to extended covalent-bonded (polymeric) solids. Among them, CO 2 has been extensively studied because of its status as a prototypical simple molecular system with a rich phase diagram and due to its fundamental role in Earth’s physics and chemistry. One of its polymeric crystalline phases, accessible at extreme pressures and temperatures, has been recently quenched to ambient pressure, but below room temperature. Here we report ab initio calculations predicting that isothermal compression of a carbon monoxide and oxygen mixture (CO+O 2 ), rather than the compound CO 2 , lowers the onset of C-polymerization at room temperature from ~ 118 GPa to ~ 7 GPa (complete by ~ 23 GPa). Moreover, it leads to the formation of an intrinsically different polymer with enhanced metastability. We predict that this dense phase is an energetic material which can potentially be recovered to ambient pressure and temperature.

Paul, Reetam [Lawrence Livermore National Laborato↗

Method for producing nanoparticles and the nanoparticles produced therefrom

Disclosed herein is a method comprising disposing a container containing a metal and/or ferromagnetic solid and abrasive particles in a static magnetic field; where the container is surrounded by an induction coil; activating the induction coil with an electrical current, to heat up the metallic or ferromagnetic solid to form a fluid; generating sonic energy to produce acoustic cavitation and abrasion between the abrasive particles and the container; and producing nanoparticles that comprise elements from the container, the metal and/or the ferromagnetic solid and the abrasive particles. Disclosed herein too is a composition comprising first metal or a first ceramic; and particles comprising carbides and/or nitrides dispersed therein. Disclosed herein too is a composition comprising nanoparticles comprising chromium carbide, iron carbide, nickel carbide, γ-Fe and magnesium nickel.

36 MATERIALS SCIENCE↗

Method for producing nanoparticles and the nanoparticles produced therefrom

Disclosed herein is a method comprising disposing a container containing a metal and/or ferromagnetic solid and abrasive particles in a static magnetic field; where the container is surrounded by an induction coil; activating the induction coil with an electrical current, to heat up the metallic or ferromagnetic solid to form a fluid; generating sonic energy to produce acoustic cavitation and abrasion between the abrasive particles and the container; and producing nanoparticles that comprise elements from the container, the metal and/or the ferromagnetic solid and the abrasive particles. Disclosed herein too is a composition comprising first metal or a first ceramic; and particles comprising carbides and/or nitrides dispersed therein. Disclosed herein too is a composition comprising nanoparticles comprising chromium carbide, iron carbide, nickel carbide, γ-Fe and magnesium nitride.

Manuel, Michele Viola↗

Method for producing nanoparticles and the nanoparticles produced therefrom

Disclosed herein is a method comprising disposing a container containing a metal and/or ferromagnetic solid and abrasive particles in a static magnetic field; where the container is surrounded by an induction coil; activating the induction coil with an electrical current, to heat up the metallic or ferromagnetic solid to form a fluid; generating sonic energy to produce acoustic cavitation and abrasion between the abrasive particles and the container; and producing nanoparticles that comprise elements from the container, the metal and/or the ferromagnetic solid and the abrasive particles. Disclosed herein too is a composition comprising first metal or a first ceramic; and particles comprising carbides and/or nitrides dispersed therein. Disclosed herein too is a composition comprising nanoparticles comprising chromium carbide, iron carbide, nickel carbide, γ-Fe and magnesium nitride.

Manuel, Michele Viola↗

Method for producing nanoparticles and the nanoparticles produced therefrom

Disclosed herein is a method comprising disposing a container containing a metal and/or ferromagnetic solid and abrasive particles in a static magnetic field; where the container is surrounded by an induction coil; activating the induction coil with an electrical current, to heat up the metallic or ferromagnetic solid to form a fluid; generating sonic energy to produce acoustic cavitation and abrasion between the abrasive particles and the container; and producing nanoparticles that comprise elements from the container, the metal and/or the ferromagnetic solid and the abrasive particles. Disclosed herein too is a composition comprising first metal or a first ceramic; and particles comprising carbides and/or nitrides dispersed therein. Disclosed herein too is a composition comprising nanoparticles comprising chromium carbide, iron carbide, nickel carbide, γ-Fe and magnesium nitride.

Manuel, Michele Viola↗

Layered Heterostructure Ionogel Electrolytes for High‐Performance Solid‐State Lithium‐Ion Batteries

Abstract Ionogel electrolytes based on ionic liquids and gelling matrices offer several advantages for solid‐state lithium‐ion batteries, including nonflammability, wide processing compatibility, and favorable electrochemical and thermal properties. However, the absence of ionic liquids that are concurrently stable at low and high potentials constrains the electrochemical windows of ionogel electrolytes and thus their high‐energy‐density applications. Here, ionogel electrolytes with a layered heterostructure are introduced, combining high‐potential (anodic stability: >5 V vs Li/Li + ) and low‐potential (cathodic stability: <0 V vs Li/Li + ) imidazolium ionic liquids in a hexagonal boron nitride nanoplatelet matrix. These layered heterostructure ionogel electrolytes lead to extended electrochemical windows, while preserving high ionic conductivity (>1 mS cm −1 at room temperature). Using the layered heterostructure ionogel electrolytes, full‐cell solid‐state lithium‐ion batteries with a nickel manganese cobalt oxide cathode and a graphite anode are demonstrated, exhibiting voltages that are unachievable with either the high‐potential or low‐potential ionic liquid alone. Compared to ionogel electrolytes based on mixed ionic liquids, the layered heterostructure ionogel electrolytes enable higher stability operation of full‐cell lithium‐ion batteries, resulting in significantly enhanced cycling performance.

Hyun, Woo Jin↗

Ferrimagnetic Order in Tetragonal Antiperovskite Mn3GeN

The crystal and magnetic structures of the nitride antiperovskite M⁢n3⁢GeN reveals ferrimagnetic order stemming from a distorted kagome-derived lattice of the Mn atoms. Polycrystalline M⁢n3⁢GeN was synthesized via a solid-state reaction and characterized using neutron powder diffraction, dc magnetometry, and first-principles calculations. Rietveld refinement reveals near-stoichiometric composition (M⁢n3⁢Ge⁢N0.992⁢(7)) adopting a tetragonal 𝐼⁢4/𝑚⁢𝑐⁢𝑚 structure at 𝑇=500K and below, featuring axially distorted and tilted [NM⁢n6] octahedra that result in a buckled Mn kagome lattice. On heating, the tetragonal distortion and octahedral tilt angle decrease continuously before transitioning to the cubic 𝑃⁢𝑚⁢3⁢𝑚 antiperovskite phase at 𝑇≈527K. Neutron diffraction and magnetometry together reveal noncollinear ferrimagnetic ordering. For 30K≤𝑇≤500K, the magnetic structure is described by magnetic space group 𝐼⁢𝑏⁢𝑎′⁢𝑚′ (72.544), with inequivalent Mn1 and Mn2 sublattices that couple antiferromagnetically to yield a net moment. Density-functional theory-based calculations show that the different local moments originate from the bandwidths associated with distinct Mn–N bond lengths. Temperature-dependent refinements reveal distinct differences in the thermal disordering profiles of the Mn1 and Mn2 sublattices. These findings reveal a subtlety in the magnetic and structural behavior of M⁢n3⁢GeN, highlighting the interplay between structural distortions, magnetic ordering, and electronic structure in kagome-derived antiperovskite materials.

36 MATERIALS SCIENCE↗

Reduction of efficiency droop in c -plane InGaN/GaN light-emitting diodes using a thick single quantum well with doped barriers

We report on c-plane InGaN/GaN single quantum well (QW) light-emitting diodes (LEDs) of different well widths (3 or 9 nm) with and without doped barriers. QW barriers were doped with the aim of reducing the internal electric field (F QW ) in the QW to increase the electron-hole overlap, therefore increasing the recombination rates and resulting in the reduction of the efficiency droop. We, indeed, observed, through biased photocurrent spectroscopy, a reduction in F QW with doped barriers, with F QW being in the same direction of the p-n junction field at zero bias as opposed to the junction field for LEDs without doped barriers. Even with the improvement in the ground state wavefunction overlap, the ground state transition rate remains low for thick QWs. Transitions through excited states were observed for both thick QW LEDs with and without doped barriers. Here, the thick QW LED without doped barriers displayed low external quantum efficiency (EQE), likely as a result of the carrier overflow due to the poor confinement of carriers in the excited states. On the other hand, for LEDs with doped barriers, the flatter band in the QW resulting from the lower F QW reduces the energy separation between the eigenstates, leading to better confinement of carriers in the excited states. With doped barriers, we demonstrated a low efficiency droop 9-nm-thick single QW LED with a peak EQE of 42% at 40 A/cm 2 and an EQE of 36% at 400 A/cm 2 .

42 ENGINEERING↗

Synthesis and Structural Study of Substituted Ternary Nitrides for Ammonia Production

Over the past few decades, inorganic nitride materials have grown in importance in part due to their potential as catalysts for the synthesis of NH 3 , a key ingredient in fertilizer and precursor to industrial chemicals. Of particular interest are the ternary (ABN) or higher-order nitrides with high metal-to-nitrogen ratios that show promise in enhancing NH 3 synthesis reaction rates and yields via heterogeneous catalysis or chemical looping. Although metal nitrides are predicted to be numerous, the stability of nitrogen triple bonds found in N 2 , especially in comparison to the metal–nitrogen bonds, has considerably hindered synthetic efforts to produce complex nitride compounds. In this study, we present an exhaustive down-selection process to identify ternary nitrides for a promising chemical looping NH 3 production mechanism. We also report on a facile and efficient two-step synthesis method that can produce well-characterized η-carbide Co 3 Mo 3 N/Fe 3 Mo 3 N or filled β-manganese Ni 2 Mo 3 N ternaries, as well as their associated quaternary, (Co,Fe) 3 Mo 3 N, (Fe,Ni) 2 Mo 3 N, and (Co,Ni) 2 Mo 3 N, solid solutions. To further explore the quaternary space, syntheses of (Co,Ni) 3 Mo 3 N (Ni ≤ 10 mol %) and Co 3 (Mo,W) 3 N (W ≤ 10 mol %) were also investigated. The structures of the nitrides were characterized via X-ray powder diffraction. The morphology and compositions were characterized with scanning electron microscopy. In conclusion, the multitude of chemically unique, but structurally related, nitrides suggests that properties such as nitrogen activity may be tunable, making the materials of great interest for NH 3 synthesis schemes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Superionic conducting vacancy-rich β-Li 3 N electrolyte for stable cycling of all-solid-state lithium metal batteries

The advancement of all-solid-state lithium metal batteries requires breakthroughs in solid-state electrolytes (SSEs) for the suppression of lithium dendrite growth at high current densities and high capacities (>3 mAh cm -2 ) and innovation of SSEs in terms of crystal structure, ionic conductivity and rigidness. Here we report a superionic conducting, highly lithium-compatible and air-stable vacancy-rich β-Li 3 N SSE. This vacancy-rich β-Li 3 N SSE shows a high ionic conductivity of 2.14 × 10 -3 S cm -1 at 25 °C and surpasses almost all the reported nitride-based SSEs. A Li- and N-vacancy-mediated fast lithium-ion migration mechanism is unravelled regarding vacancy-triggered reduced activation energy and increased mobile lithium-ion population. All-solid-state lithium symmetric cells using vacancy-rich β-Li 3 N achieve breakthroughs in high critical current densities up to 45 mA cm -2 and high capacities up to 7.5 mAh cm -2 , and ultra-stable lithium stripping and plating processes over 2,000 cycles. The high lithium compatibility mechanism of vacancy-rich β-Li 3 N is unveiled as intrinsic stability to lithium metal. In addition, β-Li 3 N possesses excellent air stability through the formation of protection surfaces. All-solid-state lithium metal batteries using the vacancy-rich β-Li 3 N as SSE interlayers and lithium cobalt oxide (LCO) and Ni-rich LiNi 0.83 Co 0.11 Mn 0.06 O 2 (NCM83) cathodes exhibit excellent battery performance. Extremely stable cycling performance is demonstrated with high capacity retentions of 82.05% with 95.2 mAh g -1 over 5,000 cycles at 1.0 C for LCO and 92.5% with 153.6 mAh g -1 over 3,500 cycles at 1.0 C for NCM83. Utilizing the vacancy-rich β-Li 3 N SSE and NCM83 cathodes, the all-solid-state lithium metal batteries successfully accomplished mild rapid charge and discharge rates up to 5.0 C, retaining 60.47% of the capacity. Notably, these batteries exhibited a high areal capacity, registering approximately 5.0 mAh cm -2 for the compact pellet-type cells and around 2.2 mAh cm -2 for the all-solid-state lithium metal pouch cells.

25 ENERGY STORAGE↗

Hexagonal boron nitride: Epitaxial growth and device applications

As a newest family member of the III-nitrides, BN is considered amongst the remaining frontiers in wide energy bandgap semiconductors with potentials for technologically significant applications in deep UV (DUV) optoelectronics, solid-state neutron detectors, electron emitters, single photon emitters, switching/memory devices, and super-capacitors. It was shown that it is possible to produce h-BN epilayers with high hexagonal phase purity, UV transparency, and film stoichiometry by employing nitrogen-rich growth conditions. The quasi-2D nature of h-BN supports unusually strong optical transitions near the band edge and a large exciton binding energy on the order of 0.7 eV. Since the isotope of B-10 has a large capture cross-section for thermal neutrons, h-BN is an ideal material for the fabrication of solid-state neutron detectors for special nuclear materials detection, well and geothermal logging, and medical imaging applications. Freestanding B-10 enriched h-BN (h- 10 BN) epilayers with varying thicknesses up to 200 μm have been successfully synthesized by metal organic chemical vapor deposition (MOCVD) as of this writing. By utilizing the conductivity anisotropy nature of h-BN, 1 cm 2 lateral detectors fabricated from 100 μm thick h-10BN epilayers have demonstrated a detection efficiency of 59% for thermal neutrons, which is the highest on record among all solid-state neutron detectors as of today. It was noted that high growth temperatures, long growth times and the use of sapphire substrate tend to incorporate oxygen related impurities into h- 10 BN epilayers, which strongly impacted the carrier mobility-lifetime (μτ) products and charge collection efficiencies of h- 10 BN neutron detectors. As the h-BN material technology further develops, improved carrier mobilities and μτ products will allow the fabrication of h-BN devices with enhanced performance.

42 ENGINEERING↗

Compact Solid-State High-Voltage Switch

Researchers at Sandia have developed a semiconductor-based high-voltage switch, with experimental results showing potential for enhanced radiation hardness, for use in multiple power conversion applications. Gallium nitride (GaN) metal-oxide semiconductor field effect transistors (MOSFETs) were modeled using commercial and Sandia CHARON simulation software to understand their performance and for future prediction of device operation in radiation environments.

42 ENGINEERING↗

A Smart Silicon Carbide Power Module With Pulse Width Modulation Over Wi-Fi and Wireless Power Transfer-Enabled Gate Driver, Featuring Onboard State of Health Estimator and High-Voltage Scaling Capabilities

A wide range of utility applications require controllable switches with features such as high-voltage blocking and high-current carrying capacity, especially at high pulse width modulation (PWM) frequency. Low- and medium-voltage utility applications such as motor drives and flexible AC transmission systems as well as solid state transformers could also benefit from a low-cost high-voltage switching module. Wide-bandgap semiconductors such as silicon carbide (SiC) and gallium nitride (GaN) metal oxide semiconductor field effect transistors (MOSFETs) are considered to be the present and next-generation device choices, although they have limitations. For relatively high-voltage applications with demanding thermal management, SiC is still the only choice, and GaN dominates the low-voltage regime. This manuscript proposes a new half-bridge power MOSFET module that is suitable for conventional H-bridge of multilevel configurations used in high-voltage applications. Constructed from bare SiC dies, this half-bridge module takes advantage of (1) optimized MOSFET placement inside the module, (2) customized heat exchanger, manifold, and cooling, (3) integrated gate driver module with pulse width modulation (PWM) over wi-fi to eliminate the need for low-voltage signals, (4) wireless power transfer (WPT)-enabled gate driver and other ancillary circuits, (5) and the option to incorporate an onboard state-of-health (SOH) estimator module. The entire architecture has been designed and built at the National Renewable Energy Laboratory (NREL) in Golden, CO.

Ga2O3 devices↗

Wide bandgap semiconductor materials and devices

The technological and societal impacts of electronic devices based on Ge, Si, and compound semiconductors like GaAs have been profound, fueling the decades long quest in identifying ever-larger bandgap semiconductors to untap new applications and possibilities. Specifically, an increase in the bandgap leads to shorter wavelength emission and an increased breakdown electric field, which has direct consequences for solid-state lighting like light-emitting diodes (LEDs) and laser diodes (LDs) from the visible (blue-green, blue, and violet) and beyond (UV and deep-UV) spectral range and for radically improved power devices supported by a higher intrinsic breakdown strength. Wide bandgap (WBG) semiconductors represent the frontier of materials that satisfy these criteria and include group IV, III–V, and II–VI material families like SiC (3.2 eV), GaN (3.4 eV), and ZnO (3.4 eV), respectively. With even larger bandgaps exceeding 4 eV, ultrawide bandgap (UWBG) semiconductors include diamond, III-nitrides incorporating Al and B (e.g., AlN, BN, and AlGaN), and sesquioxides like Ga 2 O 3 and (Al,Ga) 2 O 3 . These materials span widely varying stages of technological maturity, with SiC and GaN platforms among the most mature with commercially available devices in RF and high-power electronics, while other platforms such as Ga 2 O 3 rapidly advancing and poised to enable new UV and deep-UV optoelectronic devices. This Special Topic on Wide Bandgap Semiconductor Materials and Devices covers broad research subtopics on WBG and UWBG materials that span bulk crystals, epitaxy and substrate technologies, fundamental defect science, and doping, as well as electronic and optoelectronic device fabrication and characterization. Here, we highlight works from the collection, which we categorize by material platform of SiC, III-nitrides, and Ga 2 O 3 and related alloys.

36 MATERIALS SCIENCE↗

High Performance Green LEDs for Solid State Lighting

The development of white LEDs for solid state lighting (SSL) has been driven in recent years by phosphor converted LEDs (pc-LEDs). However, losses (known as Stokes’ losses) between the blue pump LED and phosphor impose a fundamental efficiency limit of ~300 lm/W on pc-LEDs. White light can also be generated from color mixed LEDs (cm-LEDs), which employ red, green, blue, and amber LEDs and have a fundamental efficiency limit of ~400 lm/W. Efficient group III-nitride materials are used for the blue LED, while efficient group III-phosphide materials are used for the red LED component. Currently, the poor efficiency of green and amber LEDs (i.e. the “green gap”) is the primary limitation for cm-LEDs. Relative to nitride-based blue LEDs, green and amber nitride LEDs suffer from lower radiative recombination rates and higher nonradiative recombination rates, which ultimately lead to reduced internal quantum efficiency (IQE). The IQE represents the portion of all electron-hole recombination events that result in a photon. In addition, long-wavelength LEDs have lower electrical efficiency (EE) compared to their blue counterparts. Addressing the green gap, would ultimately enable cm-LEDs that rival or exceed the performance of pc-LEDs. Our project focused on III-nitride materials growth and characterization, device fabrication and testing, and semiconductor physics to understand efficiency limitations of green LEDs and develop solutions to these challenges. Insights gained during our research has led to novel long-wavelength LED designs which will enable efficient solid-state lighting.

30 DIRECT ENERGY CONVERSION↗

Structural characterization of highly alloyed (Al,Gd)N thin films

Highly alloyed (Al,Gd)N is of potential interest in a variety of applications, including neutron detection and in devices such as non-volatile memory. Gd has been shown to have very low equilibrium solubility in AlN at room temperature; however, non-equilibrium deposition techniques such as sputtering are able to deposit thin films, which incorporate large amounts of Gd. Here, we characterize a highly-alloyed (Al,Gd)N combinatorial thin film grown by RF sputtering on a GaN substrate, looking for any evidence of chemical or phase segregation or structural disorder in the films. Compositions with between 13% and 32% Gd (on a cation basis) were studied. No evidence was found for chemical or phase segregation in any studied composition. Higher degrees of Gd incorporation led to greater structural disorder in the film and a tendency toward amorphization; however, electron diffraction shows that the film does not become fully amorphous at any of the studied compositions, instead retaining textured local order even at 32% Gd. Electron energy loss spectra suggest that the material retains a locally wurtzite-like tetrahedral bonding environment at all studied compositions.

36 MATERIALS SCIENCE↗

Editorial: Functionalization of porous materials for sustainable energy applications

Global energy demands are shifting toward a more sustainable future, with the goal of achieving carbon neutrality by 2050. Emerging technologies are driving this transition. The industry, academia, government, non-profit organizations, and the broader community are collaboratively working to reduce greenhouse gas (GHG) emissions and address climate change to ensure a sustainable future. According to the International Energy Agency, in 2022, the production, transportation, and processing of oil and gas resulted in 5.1 billion tons of CO 2 -equivalent emissions, representing nearly 15% of all energy-related GHG emissions. Moreover, the end-use of oil and gas accounted for an additional 40% of emissions. The IEA’s Net Zero Emissions by 2050 Scenario calls for immediate, collective action from the industry, transportation and other stakeholders to mitigate these emissions. In this effort, the development of energy materials will play a critical role in reducing emissions. Among these, porous materials offer an innovative solution, leveraging their high surface area, adjustable pore sizes, and chemical versatility to address these pressing challenges effectively. By carefully designing their nanostructures, the architecture and properties of these materials can be tailored for specific applications. Key factors such as chemical composition, particle size, pore distribution, and surface area optimization enhance the reactivity and energy conversion efficiency. Additionally, pre- and post-functionalization processes can introduce targeted chemical properties, further improving their performance. This Research Topic explores recent advancements in energy and materials science through four scholarly papers, showcasing innovative solutions for sustainable energy technologies while providing valuable insights into the unique properties and structure of porous materials (Figure 1). Li et al. present their work on highly defective NiFeV layered triple hydroxides, highlighting enhanced electrocatalytic activity and stability for oxygen evolution reactions (OER). Kovalskii et al. contribute a mini-review on hydrogen storage using hexagonal boron nitride (h-BN) and BN-based materials, offering an insightful overview of these promising materials. Chava et al. discuss their recent achievements in ceramic electrolytes used for improvement of performance of solid-state batteries. Lastly, Li et al. review the properties of porous materials with a focus on shrinkage behavior during the drying process, shedding light on key considerations for material design.

36 MATERIALS SCIENCE↗