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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Modulating Carrier Transport via Defect Engineering in Solar Water Splitting Devices

Developing sustainable solar water splitting devices requires efficient separation and transport of photogenerated carriers. In this Perspective, we examine carrier transport in semiconductor photoelectrodes using bismuth vanadate as a primary model system and highlight strategies to significantly improve carrier delivery through defect engineering. To improve electron transport in low-mobility semiconductors, we introduce two distinct bulk doping methods, by homogeneously enhancing the bulk defect level or by forming distributed homojunctions with graded doping. Next, we demonstrate the use of structural boundaries as extrinsic pathways for fast electron transport, thus providing novel insights to engineer materials’ macroscopic conductivity. Third, we describe the importance of interface design in terms of structural, chemical, and electronic matching at the back contact to suppress carrier recombination. Lastly, we highlight the methods for surface defect control via passivation and catalysis and give a brief outlook of research challenges and opportunities for solar water splitting.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Activating Single‐Atom Ni Site via First‐Shell Si Modulation Boosts Oxygen Reduction Reaction

Abstract Atomically dispersed nitrogen‐coordinated 3d transition‐metal site on carbon support (M‐NC) are promising alternatives to Pt group metal‐based catalysts toward oxygen reduction reaction (ORR). However, despite the excellent activities of most of M‐NC catalysts, such as Fe‐NC, Co‐NC et al., their durability is far from satisfactory due to Fenton reaction. Herein, this work reports a novel Si‐doped Ni‐NC catalyst (Ni‐SiNC) that possesses high activity and excellent stability. X‐ray absorption fine structure and aberration‐corrected transmission electron microscopy uncover that the single‐atom Ni site is coordinated with one Si atom and three N atoms, constructing Ni‐Si 1 N 3 moiety. The Ni‐SiNC catalyst exhibits a half‐wave potential (E 1/2 ) of 0.866 V versus RHE, with a distinguished long‐term durability in alkaline media of only 10 mV negative shift in E 1/2 after 35 000 cycles, which is also validated in Zn‐air battery. Density functional theory calculations reveal that the Ni‐Si 1 N 3 moiety facilitates ORR kinetics through optimizing the adsorption of intermediates.

Chemistry↗
NASA NTRS2005

Coherent Laser Instrument Would Measure Range and Velocity

A proposed instrument would project a narrow laser beam that would be frequency-modulated with a pseudorandom noise (PN) code for simultaneous measurement of range and velocity along the beam. The instrument performs these functions in a low mass, power, and volume package using a novel combination of established techniques. Originally intended as a low resource- footprint guidance sensor for descent and landing of small spacecraft onto Mars or small bodies (e.g., asteroids), the basic instrument concept also lends itself well to a similar application guiding aircraft (especially, small unmanned aircraft), and to such other applications as ranging of topographical features and measuring velocities of airborne light-scattering particles as wind indicators. Several key features of the instrument s design contribute to its favorable performance and resource-consumption characteristics. A laser beam is intrinsically much narrower (for the same exit aperture telescope or antenna) than a radar beam, eliminating the need to correct for the effect of sloping terrain over the beam width, as is the case with radar. Furthermore, the use of continuous-wave (CW), erbium-doped fiber lasers with excellent spectral purity (narrow line width) permits greater velocity resolution, while reducing the laser s power requirement compared to a more typical pulsed solid-state laser. The use of CW also takes proper advantage of the increased sensitivity of coherent detection, necessary in the first place for direct measurement of velocity using the Doppler effect. However, measuring range with a CW beam requires modulation to "tag" portions of it for time-of-flight determination; typically, the modulation consists of a PN code. A novel element of the instrument s design is the use of frequency modulation (FM) to accomplish both the PN-modulation and the Doppler-bias frequency shift necessary for signed velocity measurements. This permits the use of a single low-power waveguide electrooptic phase modulator, while simultaneously mitigating the effects of speckle as a noise source in the coherent detection.

Chang, Daniel↗
DOE OSTI2022

Tailoring electric dipole of hole-transporting material p-dopants for perovskite solar cells

We report Li-TFSI/t-BP are the most widely employed p-dopants for hole-transporting materials (HTMs) within the state-of-the-art perovskite solar cells (PSCs). The hygroscopicity and migration of these dopants, however, lead to devices with limited stability. To solve this problem, we report here on a diphenyl iodide cation and pentafluorophenyl boric acid anion-based dopant (DIC-PBA) with an oriented interfacial dipole moment as an alternative to Li-TFSI/t-BP. Theoretical and experimental data reveal that DIC-PBA exhibits deep doping of poly[bis(4-phenyl)(2,4,6-triMethylphenyl)aMine] (PTAA) and also creates p-doping of perovskite surface, which originates from ionic interactions-derived dipole arrangement that yields fast interfacial charge transport. The improved intrinsic stability of PSCs originates from the inhibition of dipole moment degeneration on the perovskite surface. Devices prepared with DIC-PBA yielded high efficiency of 22.86%, and the modules (aperture area: 33.2 cm 2 ) efficiency reached 19.13%. Importantly, the storage stability also significantly improved exceeding to 90% after aging 1,200 h under air ambient.

14 SOLAR ENERGY↗
DOE OSTI2025

Characterization of dangling bond defects at the crystalline Si/SiO x interface in a polycrystalline Si passivating contact solar cell at room temperature with electrically detected magnetic resonance spectroscopy

Monocrystalline silicon solar cells can achieve photoconversion efficiencies exceeding 26%; however, performance-limiting defects that trap carriers continue to be a challenge. In this work, we have characterized Si solar cells with tunneling SiO x /polycrystalline-Si (poly-Si) passivating contacts (TOPCon) on As-doped Czochralski Si wafers with electrically detected magnetic resonance (EDMR) spectroscopy. We fabricated 2 × 20 mm 2 TOPCon-like mini solar cells with edge passivation alongside larger 4 cm 2 sister cells and obtained similar device characteristics. We performed EDMR spectroscopy at 300 K on two minicells with different degrees of surface passivation based on the recombination parameter, J o , values of 40 and 310 fA/cm2. We optimized the resolution and the signal-to-noise ratio of the EDMR response of the minicells by varying the forward bias voltage and the magnetic field modulation amplitude. We detect two distinct signals with EDMR spectroscopy, an axial-like signal at g = 2.009, 2.0087, and 2.0015, and an isotropic signal at g = 2.0024, which we attribute to Si dangling bonds (P b0 and P b centers) and boron–oxygen related defects, respectively, at or near the c-Si/SiO x interface. The EDMR signals were lower for the cell with a lower value of J o , while the ratio of the two defect populations was very similar. The EDMR signal increases with forward bias but drops to zero at bias voltages >0.5 V, consistent with interface defects within or near the boron-doped emitter depletion region. Our study demonstrates a method to fabricate minicells that can be characterized with EDMR spectroscopy to detect industrially relevant defects in TOPCon cells.

14 SOLAR ENERGY↗
DOE OSTI2021

Magnetic‐Field‐Switchable Laser via Optical Pumping of Rubrene

Abstract Volumetric optical imaging of magnetic fields is challenging with existing magneto‐optical materials, motivating the search for dyes with strong magnetic field interactions, distinct emission spectra, and an ability to withstand high photon flux and incorporation within samples. Here, the magnetic field effect on singlet‐exciton fission is exploited to demonstrate spatial imaging of magnetic fields in a thin film of rubrene. Doping rubrene with the high‐quantum yield dye dibenzotetraphenylperiflanthene (DBP) is shown to enable optically pumped, slab waveguide lasing. This laser is magnetic‐field‐switchable: when operated just below the lasing threshold, application of a 0.4 T magnetic field switches the device between nonlasing and lasing modes, accompanied by an intensity modulation of +360%. This is thought to be the first demonstration of a magnetically switchable laser, as well as the largest magnetically induced change in emission brightness in a singlet‐fission material to date. These results demonstrate that singlet‐fission materials are promising materials for magnetic sensing applications and could inspire a new class of magneto‐optical modulators.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Charge Density Wave and Ferromagnetism in Intercalated CrSBr

In materials with 1D electronic bands, electron–electron interactions can produce intriguing quantum phenomena, including spin-charge separation and charge density waves (CDW). Most of these systems, however, are non-magnetic, motivating a search for anisotropic materials where the coupling of charge and spin may affect emergent quantum states. Here, in this study, chemical intercalation of the van der Waals magnetic semiconductor CrSBr yields Li 0.17(2) (tetrahydrofuran) 0.26(3) CrSBr, which possesses an electronically driven quasi-1D CDW with an onset temperature above room temperature. Concurrently, electron doping increases the magnetic ordering temperature from 132 to 200 K and switches its interlayer magnetic coupling from antiferromagnetic to ferromagnetic. The spin-polarized nature of the anisotropic bands that give rise to this CDW enforces an intrinsic coupling of charge and spin. The coexistence and interplay of ferromagnetism and charge modulation in this exfoliatable material provide a promising platform for studying tunable quantum phenomena across a range of temperatures and thicknesses.

2D magnets↗
DOE OSTI2025

Understanding the optoelectronic properties of doped 2D organic-inorganic halide perovskite quantum wells: towards efficient quantum well IR photodetectors

Metal halide perovskite (MHP) multiple quantum wells which consist of multilayers of alternate organic and inorganic layers exhibit large exciton binding energies due to the dielectric confinement between the inorganic and organic layers. These naturally formed multiple quantum wells have strong spin-orbit coupling (SOC) due to the presence of heavy elements in their crystal structures. Although the fundamental properties of 2D MHPs are far from being entirely understood, it is widely accepted that their band edge absorption coefficient results from strong exciton interactions. However, studies demonstrating how different exciton interactions and doping effects influence electronic traps and disorder on the band edge absorption coefficient of 2D MHPs have not been demonstrated. Understanding these interactions in MHPs will allow us to access low energy optical transitions for the fabrication of solution processable short-to-mid-wavelength IR photodetectors (1 – 8 μm). Moreover, upon doping, it is possible to move the Fermi energy into the conduction band (CB) to favorably promote the transport of charges in a working device. Herein, we study the development of 2D MHPs having strong SOC, high carrier mobility, and tunable quantum well structures. Our studies shed light on the design and modulation of fundamental physical phenomena by carefully elucidating the role of dopants (n-type and p-type), exciton heterogeneity, orientation, structure, and bias stress effects on the performance of MHPs as potential IR photodetectors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modulating Oxide‐Based Quantum Materials by Ion Implantation

Ion implantation has emerged as a powerful tool for manipulating and investigating oxide quantum materials, where strong electron correlations give rise to exotic phases and functionalities. This Review examines how controlled ion bombardment enables targeted modulation of structural, electronic, and magnetic properties in complex oxides. Recent advances in ion beam techniques is analyzed that provide unprecedented control over defect profiles, from point defects to extended damage cascades. In application, ion irradiation has demonstrated the ability to tune quantum phenomena including metal‐insulator transitions, magnetism, and superconductivity through selective doping, defect creation, and lattice strain. The ability to write quantum states with nanoscale precision using focused ion beams is opening new paths for quantum device fabrication. Challenges in understanding radiation damage mechanisms in strongly correlated systems is discussed, and identify opportunities for designing quantum functionality through defect‐engineering approaches. The technique's demonstrated capability to write quantum states with nanoscale precision, combined with its compatibility with existing semiconductor processing infrastructure, suggests a clear pathway for translating fundamental discoveries in quantum materials into practical technological applications.

defect engineering↗
DOE OSTI2023

Silicon-Lattice-Matched Boron-Doped Gallium Phosphide: A Scalable Acousto-Optic Platform

The compact size, scalability, and strongly confined fields in integrated photonic devices enable new functionalities in photonic networking and information processing, both classical and quantum. Gallium phosphide (GaP) is a promising material for active integrated photonics due to its high refractive index, wide bandgap, strong nonlinear properties, and large acousto-optic figure of merit. Here, this study demonstrates that silicon-lattice-matched boron-doped GaP (BGaP), grown at the 12-inch wafer scale, provides similar functionalities as GaP. BGaP optical resonators exhibit intrinsic quality factors exceeding 25,000 and 200,000 at visible and telecom wavelengths, respectively. It further demonstrates the electromechanical generation of low-loss acoustic waves and an integrated acousto-optic (AO) modulator. High-resolution spatial and compositional mapping, combined with ab initio calculations, indicate two candidates for the excess optical loss in the visible band: the silicon-GaP interface and boron dimers. These results demonstrate the promise of the BGaP material platform for the development of scalable AO technologies at telecom and provide potential pathways toward higher performance at shorter wavelengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Diamond magnetometer enhanced by ferrite flux concentrators

Magnetometers based on nitrogen-vacancy (NV) centers in diamond are promising room-temperature, solid-state sensors. However, their reported sensitivity to magnetic fields at low frequencies (≲1 kHz) is presently ≳10 pTs 1/2 , precluding potential applications in medical imaging, geoscience, and navigation. Here we show that high-permeability magnetic flux concentrators, which collect magnetic flux from a larger area and concentrate it into the diamond sensor, can be used to improve the sensitivity of diamond magnetometers. By inserting an NV-doped diamond membrane between two ferrite cones in a bowtie configuration, we realize a ~ 250-fold increase of the magnetic field amplitude within the diamond. We demonstrate a sensitivity of ~ 0.9pTs 1/2 to magnetic fields in the frequency range between 10 and 1000 Hz. This is accomplished using a dual-resonance modulation technique to suppress the effect of thermal shifts of the NV spin levels. The magnetometer uses 200 mW of laser power and 20 mW of microwave power. This work introduces a new degree of freedom for the design of diamond sensors by using structured magnetic materials to manipulate magnetic fields.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Confinement Reconstruction Unlocks Stable Ru Single Atom-Doped IrO x Anodes for Long-Term High-Rate CO 2 Electrolysis

IrO 2 is a commonly employed anode catalyst for CO 2 electrolysis in membrane electrode assembly (MEA) systems. However, under high current densities, its structural reconstruction leads to activity loss and stability degradation, limiting the industrial viability of CO 2 electrolysis. In this work, we demonstrated a confinement reconstruction strategy to precisely regulate the structural evolution during electrolysis. Ethylene glycol serves as a structural modulator, protecting the catalyst surface, suppressing soluble species formation, and promoting ordered structural evolution. Single-atom Ru acts as a stability enhancer, forming robust Ir–O–Ru bridging structures that facilitate an ordered transformation from a 4-fold [RuO 4 ]/[IrO 4 ] to a 6-fold symmetry [RuO 6 ]/[IrO 6 ] octahedral framework, thereby enhancing structural rigidity and long-term stability. As a result, in MEA-based CO 2 electrolysis, the catalyst achieves a stable operation at 200 mA cm –2 for 480 h, maintaining a CO selectivity above 80%. Theoretical calculations further elucidate that the enhanced stability originates from the suppression of oxygen vacancy formation, making the lattice-oxygen-mediated mechanism (LOM) potentially less favorable. This work provides insights into the structural evolution of the OER catalysts under high-current-density conditions, paving the way for large-scale CO 2 electrolysis commercialization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A far‐red‐emitting (Gd,Y) 3 (Ga,Al) 5 O 12 :Mn 2+ ceramic phosphor with enhanced thermal stability for plant cultivation

Abstract As for plants, far‐red (FR) light with wavelength from 700 nm to 740 nm is critical for processes of photosynthesis and photomorphogenesis. Light‐controlled development depends on light to control cell differentiation, structural and functional changes, and finally converge into the formation of tissues and organs. Phosphor converted FR emission under LED excitation is a cost‐effective and high‐efficient way to provide artificial FR light source. With the aim to develop an efficient FR phosphor that can promote the plant growth, a series of gadolinium yttrium gallium garnet (GYGAG) transparent ceramic phosphors co‐doped with Mn 2+ and Si 4+ have been fabricated via chemical co‐precipitation method, followed sintered in O 2 and hot isostatic pressing in this work. Under UV excitation, the phosphor exhibited two bright and broadband red emission spectra due to Mn 2+ : 4 T 1 → 6 A 1 spin‐forbidden transition, and one of which located in the right FR region. And then, Ce 3+ ions were co‐doped as the activator to enhance the absorption at blue light region and the emission of Mn 2+ . It turns out that the emission band of GYGAG transparent ceramic phosphors matches well with the absorption band of phytochrome P FR , which means they are promising to be applied in plant cultivation light‐emitting diodes (LEDs) for modulating plant growth. Besides, the thermal stability of this material was investigated systematically, and an energy transferring model involves defects was also proposed to explain the phenomenon of abnormal temperature quenching.

Qiu, Xuting↗
DOE OSTI2021

Binary Atomically Dispersed Metal-Site Catalysts with Core–Shell Nanostructures for O 2 and CO 2 Reduction Reactions

Engineering atomically dispersed metal site catalysts with controlled local coordination environments and 3D nanostructures effectively improves the catalytic performance for the oxygen reduction reaction (ORR) and the carbon dioxide reduction reaction (CO 2 RR), which are critical for clean energy conversion and chemical production. Herein, an innovative approach for preparing core-shell nanostructured catalysts with different single-metal sites in the core and the shell, respectively, is developed. In particular, as the shell precursors, covalent organic polymers with a thin layered structure that is polymerized in situ and coated on a metal-doped ZIF-derived carbon core are used, followed by a controlled thermal activation. The selective combination and construction of different metal sites increase active site density in the surface layers, promote structural robustness, facilitate mass/charge transfer, and yield a possible synergy of active sites in the core and the shell. The p-FeNC(shell)@CoNC(core), consisting of a polymerized FeTPPCl-derived carbon layer (p-FeNC) on a Co-doped ZIF-derived carbon (CoNC), exhibits remarkable ORR activity and stability in acidic media along with encouraging durability in H 2 –air fuel cells. Likewise, a p-FeNC(shell)@NiNC(core) catalyst demonstrates outstanding CO 2 RR activity and stability. Hence, integrating two appropriate single-metal sites in core and shell precursors, respectively, can modulate morphological and catalytic properties for a possible synergy toward different electrocatalysis processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Tuning core–shell interactions in tungsten carbide–Pt nanoparticles for the hydrogen evolution reaction

Platinum (Pt) is among the best electrocatalysts for the hydrogen evolution reaction (HER), a potentially fossil-free route for hydrogen production. Reduction in Pt loading and overall catalyst cost, without sacrificing catalytic activity, can be achieved by the synthesis of stable core–shell nanoparticles of transition-metal carbides and Pt. Here we employ density-functional theory (DFT) calculations to study and contrast the suitability of the α and β phases of tungsten carbide (WC) as support (core) materials for Pt shells. We examine the thermodynamic stability of 1–2 layers of Pt on α- and β-WC surfaces, carefully accounting for the delicate balance between epitaxial mismatch strains and chemical bonding between cores and shells. We also study the effects of alloying β-WC with Ti to modulate the stability and electronic structure of the core–shell structures. We compare the electronic structures of Pt overlayers supported on α-WC and β-Ti x W 1-x C surfaces and compare their activities for HER using the hydrogen binding energy as a descriptor of catalytic activity. Our studies reveal that moderate Ti doping of the metastable β-WC phase significantly improves its stability and, with merely two layers of Pt loading, HER activity comparable or superior to Pt(111) can be attained. Overall, our results provide detailed insight into experimental observations of the excellent stability and high catalytic activity of β-Ti x W 1-x C@Pt core–shell nanoparticles.

density functional theory↗
NASA NTRS1987

Recent developments in indium phosphide space solar cell research

Recent developments and progress in indium phosphide solar cell research for space application are reviewed. Indium phosphide homojunction cells were fabricated in both the n+p and p+n configurations with total area efficiencies of 17.9 and 15.9% (air mass 0 and 25 C) respectively. Organometallic chemical vapor deposition, liquid phase epitaxy, ion implantation and diffusion techniques were employed in InP cell fabrication. A theoretical model of a radiation tolerant, high efficiency homojunction cell was developed. A realistically attainable AMO efficiency of 20.5% was calculated using this model with emitter and base doping of 6 x 10 to the 17th power and 5 x 10 the the 16th power/cu cm respectively. Cells of both configurations were irradiated with 1 MeV electrons and 37 MeV protons. For both proton and electron irradiation, the n+p cells are more radiation resistant at higher fluences than the p+n cells. The first flight module of four InP cells was assembled for the Living Plume Shield III satellite.

Brinker, David J.↗
NASA NTRS1987

Recent developments in indium phosphide space solar cell research

Recent developments and progress in indium phosphide solar cell research for space application are reviewed. Indium phosphide homojunction cells were fabricated in both the n + p and p + n configurations with total area efficiencies of 17.9 and 15.9 percent (air mass 0 and 25 C) respectively. Organometallic chemical vapor deposition, liquid phase epitaxy, ion implantation and diffusion techniques were employed in InP cell fabrication. A theoretical model of a radiation tolerant, high efficiency homojunction cell was developed. A realistically attainable AM0 efficiency of 20.5 percent was calculated using this model with emitter and base doping of 6 x 10 to the 17th power and 5 x 10 to the 16th power/cu cm, respectively. Cells of both configurations were irradiated with 1 MeV electrons and 37 MeV protons. For both proton and electron irradiation, the n + p cells are more radiation resistant at higher fluences than the p + n cells. The first flight module of four InP cells was assembled for the Living Plume Shield III satellite.

Brinker, David J.↗
DOE OSTI2020

Beyond the Polysulfide Shuttle and Lithium Dendrite Formation: Addressing the Sluggish Sulfur Redox Kinetics for Practical High‐Energy Li‐S Batteries

Abstract Electrolyte modulation simultaneously suppresses polysulfide the shuttle effect and lithium dendrite formation of lithium–sulfur (Li‐S) batteries. However, the sluggish S redox kinetics, especially under high S loading and lean electrolyte operation, has been ignored, which dramatically limits the cycle life and energy density of practical Li‐S pouch cells. Herein, we demonstrate that a rational combination of selenium doping, core–shell hollow host structure, and fluorinated ether electrolytes enables ultrastable Li stripping/plating and essentially no polysulfide shuttle as well as fast redox kinetics. Thus, high areal capacity (>4 mAh cm −2 ) with excellent cycle stability and Coulombic efficiency were both demonstrated in Li metal anode and thick S cathode (4.5 mg cm −2 ) with a low electrolyte/sulfur ratio (10 μL mg −1 ). This research further demonstrates a durable Li‐Se/S pouch cell with high specific capacity, validating the potential practical applications.

Zhao, Chen↗