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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Low-Loss Charge Transfer Plasmons in Graphene/α-RuCl 3 Heterostructures Below 40 K

Charge transfer at material interfaces governs a wide range of physical properties, from electronic band structures to emergent collective excitations. In two-dimensional (2D) material heterostructures, charge transfer phenomena play important roles in enabling novel quantum phases, proximity effects, and tunable plasmonic responses. One representative charge transfer interface is formed between α-RuCl 3 , a van der Waals material with high electron affinity, and graphene. Significant charge transfer across this interface induces the formation of charge-transfer plasmon polaritons (CPPs), hybrid excitations between light and charge oscillations. However, previous studies found that as the charge transfer process takes place, α-RuCl 3 becomes lossy, which limits the quality factor of CPPs. Here, we investigate CPPs down to 10 K using a home-built scattering-type scanning near-field optical microscope (s-SNOM) optimized for low-temperature measurements. Our study reveals a dramatic suppression of plasmon loss channels below 40 K, contributing to a significant enhancement in the plasmonic quality factor. This reduction in loss is likely attributed to the blue shift of the correlation-induced Mott gap in α-RuCl 3 with decreasing temperature, along with the reduction of phonon scattering at low temperature. In conclusion, our results highlight the potential of using s-SNOM and CPPs to study complex 2D interfaces and reveal correlated electron dynamics in the underlying material.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Freestanding BaTiO 3 ‐Au Vertically Aligned Nanocomposite toward Flexible Multi‐Sensing Platform

Abstract Flexible and wearable sensors show enormous potential for personalized healthcare devices by real‐time monitoring of an individual's health. Typically, a single functional material is selected for one sensor to sense a particular physical signal while multiple materials will be selected for multi‐mode sensing. Vertically aligned nanocomposites (VANs) have recently demonstrated various material combinations and novel coupled multifunctionalities that are hard to achieve in any single‐phase material alone, including multiphase multiferroics, magneto‐optic coupling, and strong magnetic and optical anisotropy. Integrating these novel VANs into wearable sensors shows enormous potential in multi‐mode sensing owing to their multifunctional nature. In this work, the transfer of VANs onto polydimethylsiloxane as a novel flexible chemical and pressure sensor is demonstrated. For this demonstration, the classical BaTiO 3 ‐Au VAN with combined plasmonic and piezoelectric properties is used to demonstrate a multi‐sensing mechanism. A thin water‐soluble buffer of Sr 3 Al 2 O 6 serves as a buffer layer for the epitaxial growth and transfer process. The electrical output based on the piezoelectric responses and identifying 4‐mercaptobenzoic acid by surface‐enhanced Raman spectroscopy reveal great potential for free‐standing VANs in a wearable multifunctional sensing platform.

Tsai, Benson Kunhung [School of Materials Engineer↗
DOE OSTI2022

Metal–Organic Framework Integrating Ionic Framework and Bimetallic Coupling Effect for Highly Efficient Oxygen Evolution Reaction

Metal–organic frameworks (MOFs) are recognized as promising electrocatalysts for the oxygen evolution reaction (OER) because of their permanent porosity and rich architectural diversity; however, ionic MOFs enabling fast ions exchange during OER are rarely explored. Here, an ionic MOF (Ni-btz) constructed with an azolate ligand is selected, and continuous 3D bimetallic MOF (NiFe-btz) films deriving from high-degree intergrowth of microsized MOFs particles are fabricated. The as-prepared NiFe-btz/NF-OH electrode exhibits excellent OER performance with a low overpotential of 239 mV at 10 mA cm –2 under alkaline condition. The OER charge transfer process and bimetallic coupling effect in ionic NiFe-btz are probed by density functional theory calculations and confirmed via X-ray photoelectron spectroscopy and in situ Raman measurements. The partial density of states of NiFe-btz indicates that the main contribution for electron density around the Fermi level is from Cl ions clarifying the profitable impact of ionic MOF framework. This work systematically demonstrates the relationship of electronic structure and OER activity in ionic, bimetallic MOFs and expands the scope of 3D MOF films for efficient OER.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Using Aggregation to Chaperone Nanoparticles Across Fluid Interfaces

Abstract Nanoparticles (NPs) transfer is usually induced by adding ligands to modify NP surfaces, but aggregation of NPs oftentimes hampers the transfer. Here, we show that aggregation during NP phase transfer does not necessarily result in transfer failure. Using a model system comprising gold NPs and amphiphilic polymers, we demonstrate an unusual mechanism by which NPs can undergo phase transfer from the aqueous phase to the organic phase via a single‐aggregation‐single pathway. Our discovery challenges the conventional idea that aggregation inhibits NP transfer and provides an unexpected pathway for transferring larger‐sized NPs (>20 nm). The charged amphiphilic polymers effectively act as chaperons for the NP transfer and offer a unique way to manipulate the dispersion and distribution of NPs in two immiscible liquids. Moreover, by intentionally jamming the NP‐polymer assembly at the liquid/liquid interface, the transfer process can be inhibited.

Fu, Yuchen↗
DOE OSTI2025

Abstraction of Hydride from Alkanes and Dihydrogen by the Perfluorotrityl Cation

Abstract Lewis acids play a central role in a large variety of chemical transformations. The reactivity of the strongest Lewis acids is typically studied in the context of affinity towards hard bases, such as fluoride or oxygenous species. Carbocations can be viewed as soft Lewis acids, possessing significant affinity for softer bases, such as hydride. This work presents the ambient‐temperature isolation of salts of the perfluorotrityl cation ((C 6 F 5 ) 3 C + or F 15 Tr + ) in combination with halogenated carborane anions. The F 15 Tr + cation exhibits remarkable hydride affinity, illustrated by the observation of hydride abstraction from dihydrogen, and of the rapid abstraction of hydride from −CH 2 −groups in alkanes. Theoretical studies support the favorability of hydride abstraction from dihydrogen, and indicate that the hydride abstraction from alkanes proceeds via a concerted hydride transfer process that is sensitive to steric effects.

Leong, Derek W. [Department of Chemistry Texas A&a↗
DOE OSTI2025

Abstraction of Hydride from Alkanes and Dihydrogen by the Perfluorotrityl Cation

Abstract Lewis acids play a central role in a large variety of chemical transformations. The reactivity of the strongest Lewis acids is typically studied in the context of affinity towards hard bases, such as fluoride or oxygenous species. Carbocations can be viewed as soft Lewis acids, possessing significant affinity for softer bases, such as hydride. This work presents the ambient‐temperature isolation of salts of the perfluorotrityl cation ((C 6 F 5 ) 3 C + or F 15 Tr + ) in combination with halogenated carborane anions. The F 15 Tr + cation exhibits remarkable hydride affinity, illustrated by the observation of hydride abstraction from dihydrogen, and of the rapid abstraction of hydride from −CH 2 −groups in alkanes. Theoretical studies support the favorability of hydride abstraction from dihydrogen, and indicate that the hydride abstraction from alkanes proceeds via a concerted hydride transfer process that is sensitive to steric effects.

Leong, Derek W. [Department of Chemistry Texas A&a↗
DOE OSTI2021

Advancing Electrolyte Solution Chemistry and Interfacial Electrochemistry of Divalent Metal Batteries

Divalent metal (Mg, Ca, etc.) battery chemistries potentially provide a sustainable long-term technical solution for large-scale energy storage because of high natural abundance of divalent metal elements in the earth crust. Good progress has been made on materials especially electrolyte development in the past years; however, significant challenges exist, particularly the very limited fundamental understanding on electrolyte solution chemistry and interfacial electrochemistry. In this perspective, we review and discuss key discoveries and understanding of divalent battery chemistry with a focus on electrolyte-dependent interfacial electrochemistry of divalent metal anodes. A concise review of electrolyte development, operando studies of the electrified interfaces and unique charge-transfer process is provided; the knowledge gaps and future research directions are discussed.

25 ENERGY STORAGE↗
DOE OSTI2026

Long‐term growth and persistence of granitic inselbergs in a semi‐arid cratonic landscape

Granitic inselbergs are enduring landforms that punctuate planation surfaces in tectonically stable settings, yet the mechanisms and timescales of their persistence remain debated. Here, in this study, we present a multinuclide cosmogenic dataset ( 10 Be, 26 Al and 21 Ne) from bedrock, fluvial sediments and planation surfaces in the semi-arid Central Ceará Domain, north-eastern Brazil, to quantify denudation rates and reconstruct the long-term dynamics of residual relief formation. This triple-nuclide approach enables independent validation of denudation contrasts and long-term exposure histories, providing quantitative constraints on inselberg evolution that a single-nuclide approach could not resolve. Bedrock denudation rates (1–4 m Myr −1 ) are systematically lower than basin-wide rates (8–14 m Myr −1 ), revealing a regional pattern of vertical differential denudation. When combined with summit elevations and surface exposure ages of up to 5 Myr, these contrasts suggest that cumulative relief growth has been operating over timescales of tens of millions of years (1–57 Myr). Morphological and structural observations further indicate localized mass wasting and heterogeneous erosion styles, modulated by rock fabric and joint density. Cosmogenic nuclide inventories in detrital sediments reveal partial reworking from older sediment stocks, including surface pebbles with exposure ages up to 5 Myr, which record multistage of burial and re-exposure histories and reflect episodic remobilization in low-connectivity, semi-arid catchments. Rather than static relicts of ancient surfaces, inselbergs in this cratonic setting emerge as dynamic landforms actively sustained by slow but persistent differential denudation. These results provide new constraints on long-term cratonic landscape evolution and underscore the interplay between lithological resistance, structural inheritance and sediment transfer processes in sustaining topographic relief. They also call for a critical reassessment of classical inselberg models, suggesting that hybrid mechanisms, rather than single-process paradigms, more accurately capture the complexity of residual landform development in cratonic interiors.

Cosmogenic nuclides↗
DOE OSTI2021

Automatically adaptive stabilized finite elements and continuation analysis for compaction banding in geomaterials

Under compressive creep, viscoplastic solids experiencing internal mass transfer processes can accommodate singular cnoidal wave solutions as material instabilities at the stationary wave limit. These instabilities appear when the loading rate is significantly faster than the material's capacity to diffusive internal perturbations, leading to localized failure features (e.g., cracks and compaction bands). These cnoidal waves, generally found in fluids, have strong nonlinearities that produce periodic patterns. Due to the singular nature of the solutions, the applicability of the theory is currently limited. Additionally, practical simulation tools require proper regularization to overcome the challenges that singularity induces. We focus on the numerical treatment of the governing equation using a nonlinear approach building on a recent adaptive stabilized finite element method. This automatic refinement method provides an error estimate that drives mesh adaptivity, a crucial feature for the problem at hand. We compare the performance of this adaptive strategy against analytical and standard finite element solutions. We then investigate the sensitivity of the diffusivity ratio, the parameter controlling the process, and identify multiple possible solutions with several stress peaks. We also show the evolution of the spacing between peaks for all solutions as a function of that parameter.

42 ENGINEERING↗
DOE OSTI2021

R -parity violation axiogenesis

We show that the rotation of the QCD axion field, aided by B–L violation from supersymmetric R-parity violating couplings, can yield the observed baryon abundance. Strong sphaleron processes transfer the angular momentum of the axion field into a quark chiral asymmetry, which R-parity violating couplings convert to the baryon asymmetry of the Universe. We focus on the case of dimensionless R-parity violating couplings with textures motivated by grand unified theories and comment on more general scenarios. The axion decay constant and mass spectrum of supersymmetric particles are constrained by Big Bang nucleosynthesis, proton decay from the R-parity violation, and successful thermalization of the Peccei-Quinn symmetry breaking field. Axion dark matter may be produced by the axion rotation via the kinetic misalignment mechanism for axion decay constants below 10 10 GeV, or by the conventional misalignment mechanism for 10 11-12 GeV. The viable parameter region can be probed by proton decay and axion searches. This scenario may also have connections with collider experiments, including searches for long-lived particles, and observations of gravitational waves.

Beyond Standard Model↗
DOE OSTI2024

Ligand design in lanthanide complexes for luminescence, therapy, and sensing

In this chapter, we explore the research done by the de Bettencourt-Dias group in luminescent lanthanide complexes. The group has isolated ligands that sensitize the luminescence of lanthanide ions, and that bear additional functional groups that impart unique properties to the resulting complexes, such as the ability to generate cytotoxic singlet oxygen, or report on, through changes in emission intensity, viscosity or temperature at the nanoscale. The energy transfer processes are accessed through one-photon excitation or two-photon excitation through the ligand, as well as upconversion. Moreover, the group explored unique coordination chemistry of lanthanides, taking advantage of secondary interactions to isolate outer-sphere complexes of these ions.

Barber, Patrick S.↗
DOE OSTI2023

Global impacts of vegetation clumping on regulating land surface heat fluxes

The clumping index (CI) quantifies the non-random distribution of vegetation across space, which regulates the canopy radiative transfer processes and land surface carbon, water, and energy cycles. However, its impact on global surface energy budget, particularly sensible heat fluxes and surface temperature, is not well understood. Additionally, while there have been studies showing significant seasonal variations in CI, the impacts of these variations on surface energy fluxes remain unclear. In this study, we incorporated satellite-derived spatially and temporally explicit CI data into the Community Land Model version 5 (CLM5) to evaluate the effects of CI on global land energy fluxes. Our results showed that including CI increased the global mean sensible heat flux dissipated from ground by 3.9 W m -2 (~18%), while decreasing the global mean vegetation sensible heat flux by 4.9 W m -2 (~65%), resulting in a total sensible heat decrease of 1.0 W m -2 (~3%). In contrast, CI increased the global mean latent heat flux by 0.8 W m -2 (~2%), primarily due to increased evapotranspiration (up to 11 W m -2 ) in tropical regions. We also found considerable impacts of seasonal variations in CI, particularly on sensible heat fluxes from ground and vegetation in evergreen needleleaf forests and deciduous needleleaf forests. Using constant CI rather than considering seasonal variations resulted in significant overestimation and underestimation of the sensible heat fluxes from vegetation and ground, respectively, in boreal summer. In conclusion, these changes in surface energy fluxes caused by CI and its seasonal variations led to up to 1.7 and 0.5 K differences in simulated mean ground temperature. These findings highlight the importance of including CI and considering its seasonal variations in modeling land surface energy fluxes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Olefin methylation over iron zeolites and the methanol to hydrocarbons reaction

The effect of olefin addition to a stream of dimethyl ether on the methanol homologation reaction is investigated using iron-substituted zeolites Fe-beta and Fe-ZSM-5. The reaction was investigated using plug-flow microreactors in the temperature range of 240–400 °C, at a total pressure of 0.239 MPa and a WHSV of 6.12 (g DME/ gcat -hr). For Fe-beta (Si/Fe= 9.2) catalysts, isobutene co-feeding almost doubles dimethyl ether (DME) consumption rate and shifts selectivity towards larger olefins with carbon numbers from 5 to 7. Addition of isobutene above 6.3%, however, resulted in a reduction of DME consumption rates, an effect assigned to the replacement of surface methoxy groups for adsorbed olefins in the zeolite pores. Below a temperature of 340 °C hydride-transfer rates are negligible; reaction rates are stable for over 5.5 h and the products consist almost exclusively of olefins and a small amount of methane. Above 360 °C the onset of catalytic hydride transfer processes is observed leading to fast catalyst deactivation rates and an increase in the concentration of aromatic species. Iron ZSM-5 (Si/Fe = 21.4) catalysts under similar reaction conditions consumes methanol faster than Fe-beta at approximately three times the TOF (on a per iron basis). The Fe-ZSM-5 catalyst was selective to a distribution of products (C5 to C8) as compared to Fe-beta which was selective to primarily C5 and C7. Co-feeding larger olefins (2-methyl-2-butene, 2,3-dimethyl-2-butene, 2,3,3-trimethyl-1-butene, and 2,4,4-trimethyl-2-pentene) at a 3.9% olefin concentration over Fe-beta changed selectivity towards cracking products (C4 compounds such as isobutene). As the size of the olefin increases, a reduction of DME consumption rate is also observed. Here these results show that co-feeding olefins with DME over Fe-zeolites is a promising route to increase methylation rates at relatively low temperatures producing larger branched olefins and that the product distribution is highly dependent on the zeolite pore size and structure of the olefin.

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

Elucidating the Influence of Residual Polymer and Gas Environment on the Electronic Structure of a Graphene Layer Using in Situ APXPS

We use in situ ambient pressure X-ray photoelectron spectroscopy (APXPS) and ultraviolet photoelectron spectroscopy (UPS) to develop an effective method for studying changes in the graphene (Gr) electronic structure according to certain circumstance. The amount of polymethyl methacrylate (PMMA) residual polymer (RP), inevitably generated during the Gr transfer process, is significantly reduced from Gr surface by thermal annealing. This processed Gr is then sequentially exposed to specific gas environments (Ar, N 2 , O 2 , and CO 2 ), and APXPS or UPS is carried out to investigate the variations in the Gr electronic structure including the work function. When the amount of PMMA RP on Gr is reduced, the position of the main carbon peak shifts by more than 0.4 eV to a higher binding energy (in XPS spectra), and the secondary electron cutoff moves by about 0.2 eV to a lower binding energy (in UPS spectra). These changes are generally caused by a decrease in the Gr work function. On the other hand, exposure to the gas environments at different temperatures that we investigated did not produce significant changes in the work function and chemical states of Gr. These results confirm that the material in contact with Gr should be considered to achieve the desired Gr performance in electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Investigation on the AgPt and AgPd hybrid alloy nanoparticles (HANPs) for the hybrid MoS 2 /ZnO/HANP UV photodetector application

We report hybrid photodetectors made of two or more nanomaterial components can offer the high potential for advanced photodetection applications with enhanced light absorption, improved efficiency and structural tunability. A hybrid UV photodetector (PD) configuration incorporating the plasmonic hybrid alloy nanoparticles (HANP), ZnO quantum dots (QDs) and MoS 2 nanoflakes, namely MoS2/ZnO/HANP PD, is demonstrated. The optimized MoS 2 /ZnO/HANP PD exhibits a high photocurrent of 5.66 mA at 0.34 mW/mm 2 under 385 nm illumination with two orders of improvement from the bare ZnO, which is one of the highest photocurrents by the ZnO-based PDs. It also demonstrates high figure-of-merits with the responsivity of 14,523 mA/W, detectivity of 8.13 x 10 11 jones, and external quantum efficiency (EQE) of 4,680 %, outperforming most of the ZnO-based hybrid architectures. The enhanced photoresponse is primarily attributed to the significantly enhanced hot electron generation by the AgPd HANPs and photocarrier collection through the ZnO QD layer. MoS 2 nanoflakes also provide additional photon absorption sites and boost the photo-carrier transfer process. HANPs are grown by adapting a dual-step solid-state dewetting process (SSD) approach and the superiority of AgPd HANPs is confirmed by systematic investigation, FDTD simulation and comparison of AgPt and AgPd HANPs.

MoS2↗