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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Tuning superconductivity of Bi 2 Sr 2 CaCu 2 O 8+x by fluoride ion intercalation with LaF 3 gate dielectric

Here, we demonstrate fluorine intercalation into Bi 2 Sr 2 CaCu 2 O 8+x (BSCCO) flakes, as thick as 100 nm, by back-gating a single crystalline LaF 3 substrate. Element-sensitive analysis not only confirms the presence of fluorine in BSCCO after gating but also reveals lateral diffusion of fluorine in BSCCO. Transport measurements further demonstrate the hole-doping effect of fluoride ions in BSCCO through effective modulation of the superconducting transitions. Our work introduces a distinct type of ions (F - ) that can be intercalated into materials via solid state back-gating. It broadens the toolbox of ion back-gating and is useful for addressing exotic phenomena in the heavily hole doped regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Critical nematic correlations throughout the superconducting doping range in Bi 2–z Pb z Sr 2–y La y CuO 6+x

Charge modulations have been widely observed in cuprates, suggesting their centrality for understanding the high-T c superconductivity in these materials. However, the dimensionality of these modulations remains controversial, including whether their wavevector is unidirectional or bidirectional, and also whether they extend seamlessly from the surface of the material into the bulk. Material disorder presents severe challenges to understanding the charge modulations through bulk scattering techniques. We use a local technique, scanning tunneling microscopy, to image the static charge modulations on Bi 2–z Pb z Sr 2–y La y CuO 6+x . The ratio of the phase correlation length ξ CDW to the orientation correlation length ξ orient points to unidirectional charge modulations. By computing new critical exponents at free surfaces including that of the pair connectivity correlation function, we show that these locally 1D charge modulations are actually a bulk effect resulting from classical 3D criticality of the random field Ising model throughout the entire superconducting doping range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Achieving Multimodal and Multicolor Luminescence in LaAlO 3 :Pr 3+ , Gd 3+ via Trap Engineering and Energy Transfer

Achieving multimodal luminescence within a single phosphor is vital for multifunctional applications but remains challenging due to complex color tuning and trap engineering. In this study, we report Pr 3+ and Gd 3+ co‐doped LaAlO 3 (LAO:PG) phosphors, designed through careful modulation of multilevel traps and Pr 3+ → Gd 3+ energy transfer dynamics. These materials exhibit diverse luminescence modes, including down‐conversion luminescence (DCL), up‐conversion luminescence (UCL), persistent luminescence (PersL), optically stimulated luminescence (OSL), and thermally stimulated luminescence (TSL) across a wide spectral range. Unlike previously studied Pr 3+ ‐doped LAO, the co‐doped LAO:PG shows DCL in both UV‐visible and NIR regions and displays ultraviolet‐C UCL under visible excitation. Notably, we observe, for the first time, PersL lasting several minutes in these phosphors—an improvement over the non‐PersL behavior of Pr 3+ ‐only doped LAO. Additionally, the LAO:PG phosphors exhibit strong OSL response. TSL analysis reveals five distinct trap levels linked to these properties. Density functional theory calculations further correlate intrinsic defects to these traps, supporting a proposed mechanism for the observed multimodal luminescence. These findings highlight LAO:PG as a promising platform for developing advanced phosphors with integrated luminescence modes, paving the way for future applications in data storage, phototherapy, and anti‐counterfeiting technologies.

Chemistry↗
DOE OSTI2015

Microring embedded hollow polymer fiber laser

Strongly modulated laser emission has been observed from rhodamine B doped microring resonator embedded in a hollow polymer optical fiber by transverse optical pumping. The microring resonator is fabricated on the inner wall of a hollow polymer fiber. Highly sharp lasing lines, strong mode selection, and a collimated laser beam are observed from the fiber. Nearly single mode lasing with a side mode suppression ratio of up to 11.8 dB is obtained from the strongly modulated lasing spectrum. The microring embedded hollow polymer fiber laser has shown efficient lasing characteristics even at a propagation length of 1.5 m.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Edge-induced Schottky barrier modulation at metal contacts to exfoliated molybdenum disulfide flakes

Ultrathin two-dimensional semiconductors obtained from layered transition-metal dichalcogenides such as molybdenum disulfide (MoS{sub 2}) are promising for ultimately scaled transistors beyond Si. Although the shortening of the semiconductor channel is widely studied, the narrowing of the channel, which should also be important for scaling down the transistor, has been examined to a lesser degree thus far. In this study, the impact of narrowing on mechanically exfoliated MoS{sub 2} flakes was investigated according to the channel-width-dependent Schottky barrier heights at Cr/Au contacts. Narrower channels were found to possess a higher Schottky barrier height, which is ascribed to the edge-induced band bending in MoS{sub 2}. The higher barrier heights degrade the transistor performance as a higher electrode-contact resistance. Theoretical analyses based on Poisson's equation showed that the edge-induced effect can be alleviated by a high dopant impurity concentration, but this strategy should be limited to channel widths of roughly 0.7 μm because of the impurity-induced charge-carrier mobility degradation. Therefore, proper termination of the dangling bonds at the edges should be necessary for aggressive scaling with layered semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Thermochromic undoped and Mg-doped VO{sub 2} thin films and nanoparticles: Optical properties and performance limits for energy efficient windows

Undoped and Mg-doped thermochromic VO{sub 2} films with atom ratios z ≡ Mg/(Mg + V) of 0 ≤ z < 0.21 were deposited by reactive DC magnetron sputtering onto heated glass and carbon substrates. Elemental compositions were found by Rutherford backscattering spectrometry. Optical constants were determined from transmittance and reflectance measurements and were used for modeling the optical properties of thin films and dilute nanoparticle composite layers below and above the critical temperature for thermochromic switching between a low-temperature infrared transparent state and a high-temperature infrared reflecting or absorbing state. Mg-doped films showed superior luminous transmittance T{sub lum} and solar transmittance modulation ΔT{sub sol} compared to undoped VO{sub 2} films, and both of these parameters could be further enhanced by anti-reflection. VO{sub 2}-containing nanocomposites had much larger values of T{sub lum} and ΔT{sub sol} than VO{sub 2}-based films. Mg-doping was found to erode the properties of the nanocomposites. Approximate performance limits are given on T{sub lum} and ΔT{sub sol} for thermochromic VO{sub 2} films, with and without Mg doping and antireflection coating, and also for VO{sub 2}-containing dilute nanocomposites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Trifluoromethylation of 2D Transition Metal Dichalcogenides: A Mild Functionalization and Tunable p‐Type Doping Method

Chemical modification is a powerful strategy for tuning the electronic properties of 2D semiconductors. Here, in this study, we report the electrophilic trifluoromethylation of 2D WSe2 and MoS 2 under mild conditions using the reagent trifluoromethyl thianthrenium triflate (TTT). Chemical characterization and density functional theory calculations reveal that the trifluoromethyl groups bind covalently to surface chalcogen atoms as well as oxygen substitution sites. Trifluoromethylation induces p-type doping in the underlying 2D material, enabling the modulation of charge transport and optical emission properties in WSe 2 . This work introduces a versatile and efficient method for tailoring the optical and electronic properties of 2D transition metal dichalcogenides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Direct observation of electronic-liquid-crystal phase transitions and their microscopic origin in La 1/3 Ca 2/3 MnO 3

The ground-state electronic order in doped manganites is frequently associated with a lattice modulation, contributing to their many interesting properties. However, measuring the thermal evolution of the lattice superstructure with reciprocal-space probes alone can lead to ambiguous results with competing interpretations. Here, we provide direct observations of the evolution of the superstructure in La 1/3 Ca 2/3 MnO 3 in real space, as well as reciprocal space, using transmission electron microscopic (TEM) techniques. We show that the transitions are the consequence of a proliferation of dislocations plus electronic phase separation. The resulting states are well described by the symmetries associated with electronic-liquid-crystal (ELC) phases. Furthermore, our results resolve the long-standing controversy over the origin of the incommensurate superstructure and suggest a new structural model that is consistent with recent theoretical calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Extracavity and external cavity second-harmonic generation in a periodically poled silica fibre

We have studied second-harmonic generation (SHG) of a cw single-frequency ytterbium-doped fibre laser, using a periodically poled silica fibre as a nonlinear medium for frequency conversion. All-fibre external cavity SHG has been investigated for the first time. A twofold increase in second-harmonic power in a fibre ring cavity has been demonstrated and possibilities of further optimising the fibre scheme have been analysed. (nonlinear optical phenomena)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Spatially correlated incommensurate lattice modulations in an atomically thin high-temperature Bi 2.1 Sr 1.9 CaCu 2.0 O 8+y superconductor

Strong variations in superconducting critical temperatures in different families of the cuprate perovskites, even with similar hole doping in their copper-oxygen planes, suggest the importance of lattice modulation effects. The one-dimensional incommensurate lattice modulation (ILM) of Bi 2 Sr 2 CaCu 2 O 8+y , with the average atomic positions perturbed beyond the unit cell6, offer s an ideal test ground for studying the interplay between superconductivity and the long-range incommensurate lattice fluctuations. Here we report Scanning nano X-ray Diffraction (SnXRD) imaging of incommensurate lattice modulations in Bi 2 Sr 2 CaCu 2 O 8+y Van der Waals heterostructures of thicknesses down to two-unit cells. Using SnXRD, we probe that the long-range and short-range incommensurate lattice modulations in bulk sample surface with spatial resolution below 100 nm. We find that puddle-like domains of ILM of size uniformly evolving with dimensionality. In the 2-unit cell thin sample, it is observed that the wavevectors of the long- and short-range orders become anticorrelated with emerging spatial patterns having a directional gradient. The emerging patterns, originated by tiny tuning of lattice strain, induce static mesoscopic charge density waves. Finally, our findings thus demonstrate that the strain can be used to tune and control the electromagnetic properties of two-dimensional high-temperature superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Continuous tuning of W-doped VO{sub 2} optical properties for terahertz analog applications

Vanadium dioxide (VO{sub 2}), with its characteristic metal-insulator phase transition, is a prospective active candidate to realize tunable optical devices operating at terahertz (THz) frequencies. However, the abrupt phase transition restricts its practical use in analog-like continuous applications. Incorporation of tungsten is a feasible approach to alter the phase transition properties of thin VO{sub 2} films. We show that amplitude THz modulation depth of ∼65%, characteristic phase transition temperature of ∼40 °C, and tuning range larger than 35 °C can be achieved with W-doped VO{sub 2} films grown on sapphire substrates. W-doped VO{sub 2} films can also be used to suppress Fabry-Perot resonances at THz frequencies but at temperatures much lower than that observed for undoped VO{sub 2} films. The gradual phase transition temperature window allows for precise control of the W-doped VO{sub 2} optical properties for future analog based THz devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Power generation from nanostructured PbTe-based thermoelectrics: comprehensive development from materials to modules

In this work, we demonstrate the use of high performance nanostructured PbTe-based materials in high conversion efficiency thermoelectric modules. We fabricated the samples of PbTe-2% MgTe doped with 4% Na and PbTe doped with 0.2% PbI2 with high thermoelectric figure of merit (ZT) and sintered them with Co-Fe diffusion barriers for use as p- and n-type thermoelectric legs, respectively. Transmission electron microscopy of the PbTe legs reveals two shapes of nanostructures, disk-like and spherical. The reduction in lattice thermal conductivity through nanostructuring gives a ZT of similar to 1.8 at 810 K for p-type PbTe and similar to 1.4 at 750 K for n-type PbTe. Nanostructured PbTe-based module and segmented-leg module using Bi2Te3 and nanostructured PbTe were fabricated and tested with hot-side temperatures up to 873 K in a vacuum. The maximum conversion efficiency of similar to 8.8% for a temperature difference (Delta T) of 570 K and B11% for a Delta T of 590 K have been demonstrated in the nanostructured PbTe-based module and segmented Bi2Te3/nanostructured PbTe module, respectively. Three-dimensional finite-element simulations predict that the maximum conversion efficiency of the nanostructured PbTe-based module and segmented Bi2Te3/nanostructured PbTe module reaches 12.2% for a Delta T of 570 K and 15.6% for a Delta T of 590 K respectively, which could be achieved if the electrical and thermal contact between the nanostructured PbTe legs and Cu interconnecting electrodes is further improved.

Hu, Xiaokai↗
DOE OSTI2017

Phosphate modulated luminescence in lanthanum vanadate nanorods- Catechin, polyphenolic ligand

Rare earth orthovanadates and phosphates offer a very high opportunity for fabrication of nanoscale devices that exploit their luminescence properties. Optimization of luminescence by way of modulation of size, shape, structure, and morphology has been an area of study for several researchers. There has been a debate as to whether doped orthophosphate or orthovanadate is better luminescent material as both are chemically similar. It has been reported earlier that catechin hydrate can play the role of a structure director and thus influence the luminescence properties of orthovanadates. In this work, a catechin modulated the synthesis of Eu-doped lanthanum orthophosphate by phosphate substitution into vanadate host lattice is reported. A mechanistic understanding of the luminescence changes in LaMO{sub 4} has been proposed. During the substitution of V with P, catechin modulates the structure between 1D nanorods and nanowires. The host crystal structure, shape, and size influence the luminescence properties in doped LaMO{sub 4}. - Graphical abstract: Schematic illustration for the formation process of LAP nanowires using catechin. Display Omitted - Highlights: • Lanthanum phosphate nanowires are prepared by catechin -natural product. • Morphology tuned from nanorods to nanowires with tune in host lattice. • Quenching of luminescence – Zeolite water and Eu{sup 3+} to Eu{sup 2+} reduction. • The crystal structures was investigated by XRD, NMR, XPS and EPR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Sharp Drop in the Mobility of Holes with a Decrease in Their Two-Dimensional Concentration by an External Voltage in Boron δ-Doped Diamond Layers

It is shown, both analytically and numerically, that the hole mobility in boron δ-doped (i.e., with a thickness on the order of several lattice constants) diamond layers drops with a decrease in their two-dimensional concentration during depletion of the δ-doped layer by an external voltage. This drop is most pronounced for the maximum initial two-dimensional hole concentrations ~ 3 × 10{sup 13} cm{sup –2} (limited from above by the condition for the possibility of their significant reduction without the electrical breakdown of diamond). This is explained by a decrease in the degree of screening of scattering Coulomb potentials of ionized boron atoms and an increase in the scattering efficiency of degenerate holes from these atoms due to a drop in the kinetic energy of holes. The corresponding calculations of the transport scattering cross section of holes are performed beyond the Born approximation (i.e., perturbation theory), which is inapplicable for boron δ-doped diamond layers. The predicted effect can be used to increase the efficiency of source-to-drain current modulation by a gate voltage in diamond field-effect transistors (FETs) with δ-doped conduction channels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Density functional theory based study of chlorine doped WS{sub 2}-metal interface

Investigation of a transition metal dichalcogenide (TMD)-metal interface is essential for the effective functioning of monolayer TMD based field effect transistors. In this work, we employ the Density Functional Theory calculations to analyze the modulation of the electronic structure of monolayer WS{sub 2} with chlorine doping and the relative changes in the contact properties when interfaced with gold and palladium. We initially examine the atomic and electronic structures of pure and doped monolayer WS{sub 2} supercell and explore the formation of midgap states with band splitting near the conduction band edge. Further, we analyze the contact nature of the pure supercell with Au and Pd. We find that while Au is physiosorbed and forms n-type contact, Pd is chemisorped and forms p-type contact with a higher valence electron density. Next, we study the interface formed between the Cl-doped supercell and metals and observe a reduction in the Schottky barrier height (SBH) in comparison to the pure supercell. This reduction found is higher for Pd in comparison to Au, which is further validated by examining the charge transfer occurring at the interface. Our study confirms that Cl doping is an efficient mechanism to reduce the n-SBH for both Au and Pd, which form different types of contact with WS{sub 2}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Conductive Adhesives for Metallization of Interdigitated Back Contact Solar Cells

The metallization and interconnection of Si solar cells to form a module is usually a multi-step process: cells are metallized individually, soldered into strings, and subsequently assembled into a module. Furthermore, the metallization process for individual cells must be compatible with the doped surfaces being contacted, which creates additional challenges when moving from diffused junctions to heterojunctions and/or passivated contact structures. To mitigate these problems and streamline module manufacturing for the case of interdigitated back contact (IBC) cell modules, we developed an approach wherein unmetallized IBC cells are bonded directly to a circuitized backsheet using a conductive adhesive (CA) that only conducts out-of-plane. The metal/CA/silicon stack is bonded by hot-pressing at 100-200 degrees C.For a CA consisting of ethylene vinyl acetate (EVA) filled with Ag-coated spheres or indium powder we find that contact resistivities in the range of 1-10 Wcm 2 are obtained, regardless of which conductive filler and which hot pressing parameters are used. XPS revealed that about 1-2 nm EVA residue bonds to the Si in these samples, suggesting the formation of an insulating barrier that is responsible for the high contact resistance. Using indium powder alone, improved contact resistivities <0.6 Wcm 2 , high shunt resistances, and an implied open-circuit voltage loss below 10 mV were obtained. Furthermore, a cost estimate is presented, indicating that substantial cost savings of up to $10/m 2 , or about $0.05/W DC , are possible through CA-based IBC module manufacturing.

14 SOLAR ENERGY↗
DOE OSTI2025

Advances and perspectives of hard carbon anode modulated by defect/hetero elemental engineering for sodium ion batteries

Sodium-ion batteries (SIBs) serve as a promising complement to lithium-ion batteries for large-scale energy storage, leveraging the abundance of sodium resources and notable safety advantages. The key advancement in SIB industrialization hinges on identifying a cost-effective and high-performance anode material, similar to the graphite anode in lithium-ion batteries. Hard carbon emerges as prime anode materials for SIBs, boasting high specific capacity, low sodium storage potential, and wide availability. However, practical applications of hard carbon encounters challenges such as low initial Coulombic efficiency (ICE), inadequate long-term cycling stability, and poor rate performance. Recent research has focused on the optimization of hard carbon electrodes through functional design. In this comprehensive review, we have meticulously examined the progress in enhancing sodium storage performance through microstructural modulation within hard carbon, encompassing four pivotal aspects: heteroatom doping, incorporation of oxygen functional groups, surface coating, and intrinsic defect engineering. Progress in implementing these strategies is scrutinized, while the merits and challenges of each defect engineering approach are discussed. In conclusion, this review also looks into forthcoming opportunities and challenges in the practical application process of hard carbon electrodes in SIBs.

25 ENERGY STORAGE↗
DOE OSTI2015

Comprehensive study of the electronic and optical behavior of highly degenerate p-type Mg-doped GaN and AlGaN

The bulk and 2-dimensional (2D) electrical transport properties of heavily Mg-doped p-type GaN films grown on AlN buffer layers by Metal Modulated Epitaxy are explored. Distinctions are made between three primary p-type conduction mechanisms: traditional valence band conduction, impurity band conduction, and 2D conduction within a 2D hole gas at a hetero-interface. The bulk and 2D contributions to the overall carrier transport are identified and the relative contributions are found to vary strongly with growth conditions. Films grown with III/V ratio less than 1.5 exhibit high hole concentrations exceeding 2 × 10{sup 19} cm{sup −3} with effective acceptor activation energies of 51 meV. Films with III/V ratios greater than 1.5 exhibit lower overall hole concentrations and significant contributions from 2D transport at the hetero-interface. Films grown with III/V ratio of 1.2 and Mg concentrations exceeding 2 × 10{sup 20} cm{sup −3} show no detectable inversion domains or Mg precipitation. Highly Mg-doped p-GaN and p-AlGaN with Al fractions up to 27% similarly exhibit hole concentrations exceeding 2 × 10{sup 19} cm{sup −3}. The p-GaN and p-Al{sub 0.11}Ga{sub 0.89}N films show broad ultraviolet (UV) photoluminescence peaks, which intercept the valence band, supporting the presence of a Mg acceptor band. Finally, a multi-quantum-well light-emitting diode (LED) and p-i-n diode are grown, both of which demonstrate rectifying behavior with turn-on voltages of 3–3.5 V and series resistances of 6–10 Ω without the need for any post-metallization annealing. The LED exhibits violet-blue luminescence at 425 nm, while the p-i-n diode shows UV luminescence at 381 nm, and both devices still show substantial light emission even when submerged in liquid nitrogen at 77 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗