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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Direct-photon production in inelastic and high-multiplicity proton–proton collisions at $\sqrt{s}$ = 13 TeV

In this letter, we present the first measurement of direct photons at the transverse momentum of 1 < 𝑝 T < 6 GeV/𝑐 at midrapidity 𝜂 < 0.8 in inelastic and high-multiplicity proton–proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV. The fraction of virtual direct photons in the inclusive virtual photon spectrum is obtained from a fit to the dielectron invariant mass spectrum. In the limit of zero invariant mass, this fraction is equal to the relative contribution of real direct photons in the inclusive real photon spectrum. Contributions from decays of light- flavour neutral mesons are estimated using independent measurements in proton–proton collisions at the same energy and the same event class. For the first time at the LHC energies, a direct-photon signal is observed at low 𝑝T in both inelastic and high-multiplicity event classes, with a significance of 3.2𝜎 and 1.9𝜎 in terms of standard deviations, correspondingly. The yield of direct photons in inelastic pp collisions is compared to perturbative QCD calculations. The integrated photon yield is studied as a function of charged-particle multiplicity and is compared to the results from other experiments and theoretical calculations. The results show a significant increase of direct- photon yield with charged-particle multiplicity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Efficient light-emitting diodes based on oriented perovskite nanoplatelets

Solution-processed planar perovskite light-emitting diodes (LEDs) promise high-performance and cost-effective electroluminescent devices ideal for large-area display and lighting applications. Exploiting emission layers with high ratios of horizontal transition dipole moments (TDMs) is expected to boost the photon outcoupling of planar LEDs. However, LEDs based on anisotropic perovskite nanoemitters remain to be inefficient (external quantum efficiency, EQE <5%) due to the difficulties of simultaneously controlling the orientations of TDMs, achieving high photoluminescence quantum yields (PLQYs) and realizing charge balance in the films of assembled nanostructures. Here, we demonstrate efficient electroluminescence from an in situ grown perovskite film composed of a monolayer of face-on oriented nanoplatelets. The ratio of horizontal TDMs of the perovskite nanoplatelet film is ~84%, which leads to a light-outcoupling efficiency of ~31%, substantially higher than that of isotropic emitters (~23%). In consequence, LEDs with a peak EQE of 23.6% are achieved, representing highly efficient planar perovskite LEDs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Self-assembly method for core/shell nanoparticles with enhanced emission

A core/shell nanoparticle with enhanced emission comprises a fluorescent conjugated polymer core that is encapsulated by an amphiphilic block copolymer shell. The core/shell nanoparticle structure confines the electronic charge to improve quantum yield and is water soluble to enable low-cost and environmentally friendly processing.

Fan, Hongyou↗
DOE OSTI2025

Self-compensating light calorimetry with liquid argon time projection chamber for GeV neutrino physics

The Liquid Argon Time Projection Chamber (LArTPC) is a powerful dual calorimeter capable of estimating particle energy from both ionization charge and scintillation light. Here, our study shows that, due to the recombination luminescence, the LArTPC functions as a self-compensating light calorimeter: the missing energy in the hadronic component is compensated for by the increased luminescence relative to the electromagnetic component. Using 0.5-5 GeV electron neutrino charged current interactions as a case study, we show that good compensation of the electron-to-hadron response ratio (e/h) from 1-1.05 can be achieved across a broad range of drift electric fields (0.2-1.8 kV / cm), with better performance for neutrino energies above 2 GeV. This study highlights the potential of light calorimetry in LArTPCs for GeV neutrino energy reconstruction, complementing traditional charge calorimetry. Under ideal conditions of uniform light collection, we show that LArTPC light calorimetry can achieve an energy resolution comparable to the charge imaging calorimetry. Challenges arising from nonuniform light collection in large LArTPCs can be mitigated with a position-dependent light yield correction derived from 3D charge signal imaging.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Photoinduced charge transfer in transition metal dichalcogenide heterojunctions – towards next generation energy technologies

Increasing interest in using two-dimensional transition metal dichalcogenides (2D TMDCs) in optical energy conversion technologies creates a demand for improving the yields and lifetimes of photogenerated charge carriers. Despite inherently fast photocarrier decay in neat 2D TMDCs, the unique photophysics in these quantum-confined systems motivates continued effort to control the evolution of photoexcited states and create functional devices. Here, an intriguing strategy to accomplish this goal is to employ TMDCs in heterojunctions with appropriate semiconductors, where energy level offsets drive photoinduced charge transfer (PCT) across material interfaces. PCT in TMDC-based systems can be optimized for many different applications, such as driving free carriers to photocatalytic sites for redox reactions like water splitting, extracting charge to perform work in photovoltaics or photodetectors, and manipulating the spin and momentum valley electronic degrees of freedom for quantum computing systems. Here, we review recent strides in optimizing PCT for such applications through greater fundamental understanding of the photophysics that occurs at TMDC/semiconductor interfaces. After giving an overview of isolated TMDC properties, synthetic methods, and the basics of PCT, we discuss TMDCs in heterojunctions with several classes of materials, including other TMDCs, small molecule semiconductors, polymers, single-walled carbon nanotubes, quantum dots, perovskites, and electrolytes. In addition to highlighting the unique benefits of each materials category, we also identify parallels across common themes, such as the roles of charge-transfer states, spin, electronic coupling, delocalization, interfacial atomic morphology, and the precise design of energy landscapes to direct charge and energy motion. We hope to capture a broad range of the valuable work in this fast-paced field to inspire new research directions for employing PCT in targeted TMDC-based systems.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Multiplicity-dependent inclusive J/ ψ production at forward rapidity in pp collisions at $\sqrt{s}$ = 13 TeV

This paper presents a study of the inclusive forward J/ψ yield as a function of forward charged-particle multiplicity in pp collisions at $\sqrt{s}$ = 13 TeV using data collected by the ALICE experiment at the CERN LHC. The results are presented in terms of relative J/ψ yields and relative charged-particle multiplicities with respect to these quantities obtained in inelastic collisions having at least one charged particle in the pseudorapidity range |η| < 1. The J/ψ mesons are reconstructed via their decay into μ + μ − pairs in the forward rapidity region (2.5 < y < 4). The relative multiplicity is estimated in the forward pseudorapidity range which overlaps with the J/ψ rapidity region. The results show a steeper-than-linear increase of the J/ψ yields versus the multiplicity. They are compared with previous measurements and theoretical model calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Do Impulsive Solar-Energetic-Electron (SEE) Events Drive High-Voltage Charging Events on the Nightside of the Moon?

When the Earth’s moon is in the supersonic solar wind, the darkside of the Moon and the lunar plasma wake can be very dangerous charging environments. In the absence of photoelectron emission (dark) and in the absence of cool plasma (wake), the emission or collection of charge to reduce electrical potentials is difficult. Unique extreme charging events may occur during impulsive solar-energetic-electron (SEE) events when the lunar wake is dominated by relativistic electrons, with the potential to charge and differentially charge objects on and above the lunar surface to very-high negative electrical potentials. In this report the geometry of the magnetic connections from the Sun to the lunar nightside are explored; these magnetic connections are the pathways for SEEs from the Sun. Rudimentary charging calculations for objects in the relativistic-electron environment of the lunar wake are performed. To enable these charging calculations, secondary-electron yields for impacts by relativistic electrons are derived. Needed lunar electrical-grounding precautions for SEE events are discussed. Calls are made 1) for future dynamic simulations of the plasma wake in the presence of time-varying SEE-event relativistic electrons and time-varying solar-wind magnetic-field orientations and 2) for future charging calculations in the relativistic-electron wake environment and on the darkside lunar surface.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Robust quantification of the diamond nitrogen-vacancy center charge state via photoluminescence spectroscopy

Nitrogen vacancy (NV) centers in diamond are at the heart of many emerging quantum technologies, all of which require control over the NV charge state. Hence, methods for quantification of the relative photoluminescence intensities of the NV 0 and NV − charge states, i.e., a charge state ratio, are vital. Several approaches to quantify NV charge state ratios have been reported but are either limited to bulk-like NV diamond samples or yield qualitative results. We propose an NV charge state quantification protocol based on the determination of sample- and experimental setup-specific NV 0 and NV − reference spectra. The approach employs blue (400–470 nm) and green (480–570 nm) excitation to infer pure NV 0 and NV − spectra, which are then used to quantify NV charge state ratios in subsequent experiments via least squares fitting. We test our dual excitation protocol (DEP) for a bulk diamond NV sample and 20 and 100 nm nanodiamond particles and compare results with those obtained via other commonly used techniques such as zero-phonon line fitting and non-negative matrix factorization. We find that DEP can be employed across different samples and experimental setups and yields consistent and quantitative results for NV charge state ratios that are in agreement with our understanding of NV photophysics. By providing robust NV charge state quantification across sample types and measurement platforms, DEP will support the development of NV-based quantum technologies.

Color center laser spectroscopy↗
DOE OSTI2022

An overview of magneto-inertial fusion on the Z Machine at Sandia National Laboratories

We present an overview of the magneto-inertial fusion (MIF) concept MagLIF (Magnetized Liner Inertial Fusion) pursued at Sandia National Laboratories and review some of the most prominent results since the initial experiments in 2013. In MagLIF, a centimeter-scale beryllium tube or "liner" is filled with a fusion fuel, axially pre-magnetized, laser pre-heated, and finally imploded using up to 20 MA from the Z machine. All of these elements are necessary to generate a thermonuclear plasma: laser preheating raises the initial temperature of the fuel, the electrical current implodes the liner and quasi-adiabatically compresses the fuel via the Lorentz force, and the axial magnetic field limits thermal conduction from the hot plasma to the cold liner walls during the implosion. MagLIF is the first MIF concept to demonstrate fusion relevant temperatures, significant fusion production (>10^13 primary DD neutron yield), and magnetic trapping of charged fusion particles. On a 60 MA next-generation pulsed-power machine, two-dimensional simulations suggest that MagLIF has the potential to generate multi-MJ yields with significant self-heating, a long-term goal of the US Stockpile Stewardship Program. At currents exceeding 65 MA, the high gains required for fusion energy could be achievable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Electrochemical-driven green recovery of lithium, graphite and cathode from lithium-ion batteries using water

The expected exponential increase in consumption of lithium-ion batteries (LIBs) would pose a unique challenge to the availability of near-critical resources like lithium and graphite in the upcoming decade. In this work, we present a lithium recovery process that utilizes a degradation mechanism, i.e., lithium plating, as a tool to concentrate metallic lithium at the anode/separator interface for convenient extraction at room temperature – using only water. Electrochemical characterization of fast charged (1–6 C) LIBs yielded a maximum capacity fade of 50% over ten cycles. The lithium plating was confirmed via voltage plateau analysis, coulombic efficiency, and DC resistance measurements. A maximum lithium plating condition was observed to exist between 4C and 5C, thereby limiting the energy consumption in the extraction process. Post-mortem film thickness measurement showed an incrementing film deposition with a maximum of 35 µm thickness. SEM and XPS analysis confirmed increasing concentration of a dense dendritic metallic lithium deposition on the anode/separator interface with C-rate. A green recovery process was adopted to extract the concentrated metallic lithium using distilled water. The lithium from the plated film, solid/electrolyte interface (SEI), electrolyte, anode, and cathode, was extracted as salts. A 37% improvement in lithium recoverability was achieved with fast charging under ambient conditions. XPS analysis showed ~92% of lithium yield with no residual lithium in the graphite. In addition, the battery-grade graphite was recovered with 97% purity after heat treatment of the washed anode film, and concentrated transition metals oxides in the cathode to 93% purity for convenient extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Multiplicity dependence of charm baryon and charm meson production in pPb collisions at $\sqrt{s_{NN}} = 8.16$ TeV

Measurements of the production yields of charm baryons (Λ$^+_c$ ) and charm mesons (D 0 ) in proton-lead collisions at a nucleon-nucleon center-of-mass energy of 8.16 TeV are presented. The data were collected in 2016 with the CMS experiment and correspond to an integrated luminosity of 186 nb -1 . The Λ$^+_c$ baryon is reconstructed from the decay channel Λ$^+_c$ → K$^0_S$p , while the D 0 meson is reconstructed via D 0 → K - π + . The Λ$^+_c$ baryon and D 0 meson yields are extracted in several charged-particle multiplicity classes. No strong multiplicity dependence of the Λ$^+_c$-to-D 0 yield ratio is observed, unlike the observed strange baryon to strange meson yield ratio of $Λ/\bar{Λ}$to K$^0_S$, which shows a strong multiplicity dependence. This observation indicates different mechanisms for the multiplicity evolution of hadronization processes for charm and strange quarks and provides new constraints to the understanding of heavy flavor production and collectivity in small collision systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Lower limits for non-radiative recombination loss in organic donor/acceptor complexes

Understanding the factors controlling radiative and non-radiative transition rates for charge transfer states in organic systems is important for applications ranging from organic photovoltaics (OPV) to lasers and LEDs. Here we explore the role of charge-transfer (CT) energetics, lifetimes, and photovoltaic properties in the limit of very slow non-radiative rates by using a model donor/acceptor system with photoluminescence dominated by thermally activated delayed fluorescence (TADF). This blend exhibits an extremely high photoluminescence quantum efficiency (PLQY = ~22%) and comparatively long PL lifetime, while simultaneously yielding appreciable amounts of free charge generation (photocurrent external quantum efficiency EQE of 24%). In solar cells, this blend exhibits non-radiative voltage losses of only ~0.1 V, among the lowest reported for an organic system. Notably, we find that the non-radiative decay rate, k nr , is on the order of 10 5 s -1 , approximately 4–5 orders of magnitude slower than typical OPV blends, thereby confirming that high radiative efficiency and low non-radiative voltage losses are achievable by reducing k nr . Furthermore, despite the high radiative efficiency and already comparatively slow k nr , we find that k nr is nevertheless much faster than predicted by Marcus–Levich–Jortner two-state theory and we conclude that CT-local exciton (LE) hybridization is present. Our findings highlight that it is crucial to evaluate how radiative and non-radiative rates of the LE states individually influence the PLQY of charge-transfer states, rather than solely focusing on the PLQY of the LE. This conclusion will guide material selection in achieving low non-radiative voltage loss in organic solar cells and high luminescence efficiency in organic LEDs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improved Boundary Conditions for Coupled Geospace Models: An Application in Modeling Spacecraft Surface Charging Environment

Abstract Spacecraft surface charging in the inner magnetosphere often occurs in the pre‐midnight to the dawn sector when electron fluxes of tens of keV increase. Inner magnetosphere ring current models can be used to simulate/predict the spacecraft surface charging environment, with their outer boundary conditions specified either based on observations or provided by other models, such as MHD models. In the latter approach, using MHD quantities, the flux spectrum at the outer boundary is commonly assumed to follow a Kappa or Maxwellian distribution function. Such a method however often departs greatly from the realistic spectrum at E < tens of keV, a crucial energy range in the surface charging anomaly. In order to achieve a better representation of the surface charging environment, we propose to combine the MHD‐parameterized flux spectrum with an empirical electron flux model of E < 40 keV to set the electron flux boundary condition. Results indicate that as opposed to the case where the MHD‐parameterized flux distribution is solely used at the model boundary, simulations with the new boundary condition yields a more intense surface charging environment. The integrated electron flux between 10 < E < 50 keV, a measure of the severity of the surface charging environment, is significantly enhanced by 1‐2 orders of magnitude, leading to a much better agreement with Van Allen Probes measurements. This study hence demonstrates a reasonable solution to the setting of outer boundary conditions for inner magnetosphere models and is recommended for coupled geospace circulation models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Testing the Froggatt-Nielsen mechanism with lepton flavor and number violating processes

The Froggatt-Nielsen (FN) mechanism offers an elegant explanation for the observed masses and mixings of Standard Model fermions. In this work, we systematically study FN models in the lepton sector, identifying a broad range of charge assignments (“textures”) that naturally yield viable masses and mixings for various neutrino mass generation mechanisms. Using these textures, we consider higher-dimensional operators consistent with a FN origin and find that natural realizations predict distinct patterns in lepton flavor- and number-violating observables. For Dirac and Majorana neutrinos, FN-related correlations can lead to detectable rates of charged lepton flavor violation at next-generation low-energy experiments. Majorana and type-I seesaw models predict measurable rates of neutrinoless double beta decay. Determination of inverted neutrino mass ordering would exclude the Dirac neutrino FN scenario. Only a small minority of purely leptonic FN models predict detectable flavor violation at future muon colliders, though it is possible that a combined analysis with the quark sector will reveal motivated signals. These findings highlight the power of the FN mechanism to link neutrino mass generation to testable leptonic observables, offering new pathways for the experimental exploration of lepton number and underscoring the importance of next-generation low-energy probes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Leveraging Multiproton-Coupled Electron Transfer to Improve Ir(III) Photocatalyst Efficiency

In photoredox reactions, charge recombination (CR) limits quantum yields, hindering the efficient conversion of light energy into catalytic activity. To address this, we drew inspiration from redox relays in photosystem II (PSII) and developed a new series of iridium(III) complexes featuring covalently attached benzimidazole-phenol-pyridine (BIP-Py) groups to facilitate intramolecular multiproton-coupled electron transfer (MPCET). Herein, we evaluate the effects of MPCET through an extended and well-defined hydrogen-bond network to improve photocatalytic activity and mitigate rapid charge recombination. Infrared spectroelectrochemistry reveals pyridine protonation upon phenol oxidation, while visible spectroelectrochemistry and transient absorption spectroscopy confirm the electro- and photochemical formation of chargeseparated states (CSS) involving oxidized BIP, resulting from intramolecular proton-coupled electron transfer (PCET). The application of the BIP-Py platform in a photocatalytic Nhydroxyphthalimide ester reduction reaction resulted in a ∼106-fold reduction in CR rate and a quantum yield enhancement of up to 157%. Our findings suggest that incorporating MPCET-based redox relays into photocatalyst frameworks is an effective strategy to enhance the efficiency of photocatalytic systems.

Catalysts↗
DOE OSTI2024

Valuing EV Managed Charging for Bulk Power Systems

When and where electric vehicle (EV) charging occurs has significant implications for power systems supporting widespread EV adoption, especially with high shares of wind and solar generation. This study extends previous works by leveraging detailed simulation models for EV adoption, EV use, EV charging, and bulk power system operations, and by linking them with methods for describing charging flexibility at both the individual vehicle and aggregate levels. This technical potential study focuses on how the value of EV managed charging (EVMC) changes depending on charging flexibility type (within-charging session or within-week scheduling), dispatch mechanism (direct load control or one of several price-based mechanisms), and managed charging participation rate. We show that naively aggregating EV charging flexibility from individual vehicles into megawatt-scale resources grossly overestimates the flexibility of the fleet, because such aggregate models can unrealistically pair, e.g., one already-fully-charged vehicle's ability to increase load with another already-charging vehicle's ability to accept more charge, effectively requesting a charging rate that is infeasible for the latter vehicle. We find per-vehicle bulk system value is highest at low participation rates for all dispatch mechanisms. Factoring in production cost savings, avoided firm capacity savings, and combustion-related power sector emissions savings, we estimate the value of EVMC at low participation rates (5%) to be $33/vehicle-year to $69/vehicle-yr for within-session charging flexibility and $40/vehicle-yr to $120/vehicle-yr for within-week charging flexibility in an envisioned 2038 New England power system and monetary value reported in 2016 U.S. dollars. At 100% participation, per-vehicle value declines to $25/vehicle-yr to $31/vehicle-yr for within-session charging flexibility and to $29/vehicle-yr to $36/vehicle-yr for within-week charging flexibility; however, 100% participation yields the highest total system savings.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Synergy between Photoluminescence and Charge Transport Achieved by Finely Tuning Polymeric Backbones for Efficient Light-Emitting Transistor

The lack of design principle for developing high-performance polymer materials displaying strong fluorescence and high ambipolar charge mobilities limited their performance in organic light-emitting transistors (OLETs), electrically pumped organic laser, and other advanced electronic devices. Here, a series of semiladder polymers by copolymerization of weak acceptors (TPTQ or TPTI) and weak donors (fluorene (F) or carbazole (C)) have been developed for luminescent and charge transporting properties. It was found that enhanced planarity, high crystallinity, and a delicate balance in interchain aggregation obtained in the new copolymer, TPTQ-F, contributed to high ambipolar charge mobilities and photoluminescent quantum yield. TPTQ-F showed excellent performance in solution-processed multilayered OLET devices with an external quantum efficiency (EQE) of 5.3%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Final Technical Report

The capture of CO2 and its simultaneously conversion to useful chemical fuels driven by solar energy represents one of the best solutions to resolve our growing energy and environmental concerns. The most critical challenge to this endeavor is the rational design of a photocatalytic architecture that can effectively couple a given photosensitizer (PS) with an appropriate catalyst, thereby enabling efficient photosensitization of a multi-electron reduction catalysis. This research program aims to address this challenge using an interdisciplinary approach that combines innovative material design and synthesis, fundamental mechanistic studies, and photocatalytic performance evaluation. The strategies include 1) constructing and investigating a novel class of 2D COF hybrid photocatalysts with an effective photoactive organic building block as PS and a precisely incorporated CO2 reduction molecular catalyst (MC); and 2) mechanistic origins of CO2 photoreduction using a set of complementary time-resolved and in situ spectroscopic techniques. The novelty of the proposed hybrid system lies in the unprecedented combination of the unique advantage of porous crystalline COF PS with the precise catalytic function of MC for photocatalytic CO2 reduction. In the periods of the support (09/01/2019-12/31/2022), we have made research progress in four projects: 1) Exploring 2D COFs with incorporated Mn complex for light driven CO2 reduction; 2) The dependence of excited state and charge transfer dynamics on monomer structure of 2D COFs; and 3) Control over Charge Separation by Imine Structural Isomerization in Covalent Organic Frameworks with Implications on CO2 Photoreduction; and 4) The impact of monomer structure on the photoluminescence properties of COFs. We found that both monomer structure and linker chemistry can effectively impact the excited state dynamics, charge transfer properties, and photoluminescence quantum yields, the important properties that dictate their applications in photocatalysis. In addition, we found that the direction of imine linker determines charge transfer direction and thus controls the types of catalytic reactions (e.g. water oxidation or CO2 reduction reactions). The result from these fundamental studies provides important information for correlating the structure of the COF photocatalysts with their photophysical properties and catalytic functions, paving the way for their novel application in photocatalysis. We expect that our findings will contribute to addressing current shortcomings of semiconductor- and molecular-based photocatalytic systems that suffer from inefficient light harvesting and charge separation and poor adsorption and activation of reactants. In turn, this research will contribute towards the development of novel photocatalytic systems for CO2 reduction to generate renewable chemical fuels and simultaneously address the problem of mitigating climate change due to CO2 accumulation. In addition, the experimental approaches employed in this research can be easily transferred to other energy technologies and are expected to broadly impact fields involving photocatalysis, optoelectronic devices, and solar energy conversion. The proposed research has also been integrated with educational activities and serve as a basis to raise awareness around the critical issues of global energy production and consumption, and to develop the next generation of solar energy scientists.

14 SOLAR ENERGY↗