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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Annealing-Driven Phase Control Enables Plasmonic Tunability in Alloy Nanoparticles

A critical aspect of designing and realizing useful solid state materials is controlling phase and structure to tailor physical properties. While common for semiconductor and quantum materials, plasmonic materials have inhabited a narrow phase space typically comprising one or two elements, e.g., face-centered cubic metals. While this simplicity has enabled robust use and understanding of Au and Ag nanoparticles, it has also limited the design and manipulation of solid state properties. Here, we show that by tuning the phase and elemental composition of binary Au−Sn nanoparticles, the steady-state absorbance and ultrafast thermalization properties of plasmonic nanoparticles can be controlled. Solid state characterization suggests this is due to the dealloying of Sn and destabilization of the AuSn phase, leading to higher quality Au 5 Sn intermetallic phases alongside Au. Consequently, this work shows that phase control can profoundly influence the properties of plasmonic nanoparticles, providing important tunability for applications in catalysis, photothermal heating, and sensing.

Gold↗
DOE OSTI2023

Synthesis, Hole Doping, and Electrical Properties of a Semiconducting Azatriangulene-Based Covalent Organic Framework

Two-dimensional covalent organic frameworks (2D COFs) containing heterotriangulenes have been theoretically identified as semiconductors with tunable, Dirac-cone-like band structures, which are expected to afford high charge-carrier mobilities ideal for next-generation flexible electronics. However, few bulk syntheses of these materials have been reported, and existing synthetic methods provide limited control of network purity and morphology. Here, we report transimination reactions between benzophenone-imine-protected azatriangulenes (OTPA) and benzodithiophene dialdehydes (BDT), which afforded a new semiconducting COF network, OTPA-BDT. The COFs were prepared as both polycrystalline powders and thin films with controlled crystallite orientation. Here, the azatriangulene nodes are readily oxidized to stable radical cations upon exposure to an appropriate p type dopant, tris(4-bromophenyl)ammoniumyl hexachloroantimonate, after which the network’s crystallinity and orientation are maintained. Oriented, hole-doped OTPA-BDT COF films exhibit electrical conductivities of up to 1.2 × 10 –1 S cm –1 , which are among the highest reported for imine-linked 2D COFs to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Exchange field enhanced upper critical field of the superconductivity in compressed antiferromagnetic EuTe2

Abstract Understanding the interplay between superconductivity and magnetism has been a longstanding challenge in condensed matter physics. Here we report high pressure studies on the C -type antiferromagnetic semiconductor EuTe 2 up to 36.0 GPa. A structural transition from the I4/mcm to the C2/m space group is identified at ~16 GPa. Superconductivity is observed above ~5 GPa in both structures. In the low-pressure phase, magnetoresistance measurements reveal strong couplings between the local moments of Eu 2+ and the conduction electrons of Te 5 p orbits. The upper critical field of superconductivity is well above the Pauli limit. While EuTe 2 becomes nonmagnetic in the high-pressure phase and the upper critical field drops below the Pauli limit. Our results demonstrate that the high upper critical field of EuTe 2 in the low-pressure phase is due to the exchange field compensation effect of Eu 2+ and the superconductivity in both structures may arise in the framework of the Bardeen-Cooper-Schrieffer theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Improved control of atomic layering in perovskite-related homologous series

Homologous series are layered phases that can have a range of stoichiometries depending on an index n. Examples of perovskite-related homologous series include (ABO 3 )nAO Ruddlesden–Popper phases and (Bi 2 O 2 ) (A n-1 B n O 3n+1 ) Aurivillius phases. It is challenging to precisely control n because other members of the homologous series have similar stoichiometry and a phase with the desired n is degenerate in energy with syntactic intergrowths among similar n values; this challenge is amplified as n increases. To improve the ability to synthesize a targeted phase with precise control of the atomic layering, we apply the x-ray diffraction (XRD) approach developed for superlattices of III–V semiconductors to measure minute deviations from the ideal structure so that they can be quantitatively eradicated in subsequent films. We demonstrate the precision of this approach by improving the growth of known Ruddlesden–Popper phases and ultimately, by synthesizing an unprecedented n = 20 Ruddlesden–Popper phase, (ATiO 3 ) 20 AO where the A-site occupancy is Ba 0.6 Sr 0.4 . We demonstrate the generality of this method by applying it to Aurivillius phases and the Bi 2 Sr 2 Ca n–1 Cu n O 2n+4 series of high-temperature superconducting phases.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Kinetics of short-range order formation in GeSn alloy: MBE vs CVD

Recently, short-range order (SRO) has attracted significant attention, challenging the conventional view of the atomic positions in alloys being random. Furthermore, the presence of SRO has been predicted to have profound effects on the electronic and topological properties of group-IV alloys, offering a different direction in designing group-IV materials for photoelectronic and quantum devices. However, due to the limited understanding of the formation mechanisms, developing effective methods to manipulate SRO in epitaxy is still challenging. To address this, we propose a mechanism for the GeSn alloy, revealing that surface diffusion plays a key role in SRO formation. Building on this mechanism, we show that the distinct surface conditions in MBE and CVD lead to the formation of SRO with enhanced Sn–Sn pairing in MBE-grown samples, while CVD-grown samples remain random alloys. Furthermore, our findings provide an initial understanding of the kinetic process of SRO formation, providing guidance for the design of experiments to manipulate SRO.

Alloys↗
DOE OSTI2025

InAs sidewall tunnel diodes enabled by surface states

Negative differential resistance (NDR), where the device current decreases with increasing bias voltage, is a representative phenomenon where quantum mechanics induces counterintuitive physical behavior and offers promising applications such as high-frequency oscillators, amplifiers, and multilevel logic circuits. While the NDR behavior has been extensively studied in various materials and devices, the role of surface properties in NDR, particularly in InAs-based diodes, remains underexplored. In this work, we report the observation of NDR in vertically structured InAs p + n diodes that exhibit a peak-valley current ratio of ∼6, which is suitably high for applications. Circumference-normalized current–voltage characterization revealed that the NDR originates from band-to-band tunneling between the valence band of p + -InAs and the conduction band of an n + -InAs surface, where the n + surface is due to surface states on otherwise n − -InAs. In addition, by comparing devices with various surface passivation methods (without intentional passivation, benzocyclobutene polymer, and silicon nitride), we found that the surface termination significantly affects the NDR characteristics. We present an equivalent circuit model to explain the observed device behavior. These findings offer insights into surface-enabled NDR phenomena and present new knobs for engineering NDR devices.

Circuit theorems↗
DOE OSTI2026

Machine learning approach for vibronically renormalized electronic band structures

Here, we present a machine learning (ML) method for efficient computation of vibrational thermal expectation values of physical properties from first principles. Our approach is based on the nonperturbative frozen phonon formulation in which stochastic Monte Carlo algorithm is employed to sample configurations of nuclei in a supercell at finite temperatures based on a first-principles phonon model. A deep-learning neural network is trained to accurately predict physical properties associated with sampled phonon configurations, thus bypassing the time-consuming ab initio calculations. To incorporate the point-group symmetry of the electronic system into the ML model, group-theoretical methods are used to develop a symmetry-invariant descriptor for phonon configurations in the supercell. We apply our ML approach to compute the temperature dependent electronic energy gap of silicon based on density functional theory (DFT). We show that, with less than a hundred DFT calculations for training the neural network model, an order of magnitude larger number of sampling can be achieved for the computation of the vibrational thermal expectation values. Our work highlights the promising potential of ML techniques for finite temperature first-principles electronic structure methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Coherently coupled carrier and phonon dynamics in elemental tellurium probed by extreme ultraviolet transient absorption

The narrow band-gap semiconductor elemental tellurium (Te) has a unique electronic structure due to strong spin-orbit splitting and a lack of inversion symmetry of its helical lattice. Using broadband extreme ultraviolet core-level transient absorption, we simultaneously measure the coherently coupled photoinduced carrier and lattice dynamics at the Te N4,5 edge initiated by a few-cycle NIR pulse. Ultrafast excitation of carriers leads to a coherently excited A1 phonon oscillation and the generation of a hot carrier population distribution that oscillates in temperature, and the phonon excursion and hot carrier temperature are π out of phase with respect to each other. The depths of modulation suggest a significant coupling between the electronic and lattice degrees of freedom in Te. A long-lived shift of the absorption edge suggests an excited state of Te in another equilibrium potential energy surface that lives on the order of the carrier recombination timescale. The observed phonon-induced oscillations of the hot carriers are supportive of a change in the metallicity, whereby Te becomes more metallic with increasing phonon-induced displacement. Additionally, near the Fermi level we observe an energy-dependent phase of the displacive excitation of the A1 phonon mode. The discovery of coherent coupling between the lattice and hot carriers in Te provides the basis to investigate coherent interactions between spin and orbital degrees of freedom. The results spectrally and temporally resolve the correlation between photoexcited hot carriers and coherent lattice excitations, providing insight on the optical manipulation of the Te electronic structure at high carrier densities exceeding 1021cm−3.

Adelman, Jonah R↗
DOE OSTI2020

Density functional studies of defects and defect-related luminescence in M g 3 N 2

M g 3 N 2 is a promising material for light-emitting-diode applications. However, the microscopic origin of the broad yellow photoluminescence in M g 3 N 2 remains unknown. In this study, defect properties and defect-related optical transitions are investigated based on the hybrid functional calculation. Our results show that the nitrogen vacancy introduces multiple localized defect states within the band gap, which play a dominant role in luminescent properties of M g 3 N 2 . Common impurities like hydrogen, oxygen, and carbon and their complexes with native defects are also studied. Compared with isolated V Mg , V Mg -H and V Mg – O N complexes have shallower transition levels. Our calculated optical excitation and emission peaks associated with isolated V N are in good agreement with those observed in experiments. In addition, the impurity C N is also a potential source for the observed yellow emission in M g 3 N 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Improvement in Power Output for CNT Polymer Hybrid Film and Accompanying Thermoelectric Generator: Cooperative Research and Development (CRADA CRD-15-596 Final Report)

NREL personnel will enhance International ThermoDyne's (ITD) understanding of the controlling factors for power output within a process for the manufacturing of high-performance carbon nanotube (CNT) thermoelectric generator (TEG) structure (alternative areas of p and n type semiconductor) and provide ITD with samples ('Deliverables') demonstrating these advances in power output that can used. The Deliverables will have performance characteristics outlined in Table 1, for use in ITD's PowerFelt product. The initial goals of this project are to achieve thermoelectric p and n films with power factors of at least 600uW/mK2 made through NREL's process for TEG paper manufacture with high conductivity and low thermal conductivity and eventually achieving higher performance of > 900 uW/mK2.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Development of gallium aluminum phosphide electroluminescent diodes

Work done on the development of gallium aluminum phosphide alloys for electroluminescent light sources is described. The preparation of this wide band gap semiconductor alloy, its physical properties (particularly the band structure, the electrical characteristics, and the light emitting properties) and work done on the fabrication of diode structures from these alloys are broadly covered.

Chicotka, R. J.↗
NASA NTRS1995

Silicon Satellites: Picosats, Nanosats, and Microsats

Silicon, the most abundant solid element in the Earth's lithosphere, is a useful material for spacecraft construction. Silicon is stronger than stainless steel, has a thermal conductivity about half that of aluminum, is transparent to much of the infrared radiation spectrum, and can form a stable oxide. These unique properties enable silicon to become most of the mass of a satellite, it can simultaneously function as structure, heat transfer system, radiation shield, optics, and semiconductor substrate. Semiconductor batch-fabrication techniques can produce low-power digital circuits, low-power analog circuits, silicon-based radio frequency circuits, and micro-electromechanical systems (MEMS) such as thrusters and acceleration sensors on silicon substrates. By exploiting these fabrication techniques, it is possible to produce highly-integrated satellites for a number of applications. This paper analyzes the limitations of silicon satellites due to size. Picosatellites (approximately 1 gram mass), nanosatellites (about 1 kg mass), and highly capable microsatellites (about 10 kg mass) can perform various missions with lifetimes of a few days to greater than a decade.

Janson, Siegfried W.↗
NASA NTRS2002

Advanced Microgravity Acceleration Measurement Systems Being Developed

The Advanced Microgravity Acceleration Measurement Systems (AMAMS) project at the NASA Glenn Research Center is part of the Instrument Technology Development program to develop advanced sensor systems. The primary focus of the AMAMS project is to develop microelectromechanical (MEMS) acceleration sensor systems to replace existing electromechanical-sensor-based systems presently used to assess relative gravity levels aboard spacecraft. These systems are used in characterizing both vehicle and payload responses to low-gravity vibroacoustic environments. The collection of microgravity acceleration data has cross-disciplinary utility to the microgravity life and physical sciences and the structural dynamics communities. The inherent advantages of semiconductor-based systems are reduced size, mass, and power consumption, while providing enhanced stability.

Sicker, Ronald J.↗
NASA NTRS2003

Advanced Microgravity Acceleration Measurement Systems (AMAMS) Being Developed

The Advanced Microgravity Acceleration Measurement Systems (AMAMS) project is part of NASA s Instrument Technology Development program to develop advanced sensor systems. The primary focus of the AMAMS project is to develop microelectromechanical systems (MEMS) for acceleration sensor systems to replace existing electromechanical sensor systems presently used to assess relative gravity levels aboard spacecraft. These systems are used to characterize both vehicle and payload responses to low-gravity vibroacoustic environments. The collection of microgravity acceleration data is useful to the microgravity life sciences, microgravity physical sciences, and structural dynamics communities. The inherent advantages of semiconductor-based systems are reduced size, mass, and power consumption, with enhanced long-term calibration stability.

Sicker, Ronald J.↗
DOE OSTI2022

Understanding Novel Lewis Acid Doping Mechanisms in Organic Semiconductors

Recent studies supported by this DOE grant have provided a more detailed understanding of the doping mechanism of organic semiconductors by the Lewis acid, tris(pentafluorophenyl)borane (BCF). Our studies have examined the intermolecular semiconductor-dopant interactions as well as the thermodynamic feasibility of different doping mechanisms. Most notably, we found a different proposed doping scheme is much more thermodynamically favoured (exergonic) than our proposed two-step BCF doping mechanism. The state-of-the-art experimental and theoretical techniques of High-Field Multi-Dimensional Solid State NMR spectroscopy and Time-Dependent Density Functional theory (TD-DFT) and DFT were employed in this work. The data obtained helped identify the structural details and intermolecular interactions which impact the organic semiconductor doping efficiency for BCF and how these compare to the case of doping by the standard integer charge transfer dopant molecule F 4 TCNQ. We have, for the first time, assigned specific chemical shift values for the F 4 TCNQ molecules clustered outside of polymer chains as well as those intercalated between the polymer backbones. Further, we provide theoretical support for a novel doping mechanism which combines those proposed in previous literature involving the evolution of hydrogen gas along with a doping species more complex than the simple BCF·H 2 O. While our previously proposed doping mechanism was found to be highly thermodynamically unfavorable, the formation of large anion [BCF(OH)(OH 2 )BCF]- is the key change making the proposed mechanism exergonic while the elimination of gaseous H 2 helps drive the doping reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Wholly Aromatic Ether-Imides as n-Type Semiconductors

Some wholly aromatic ether-imides consisting of rod-shaped, relatively-low-mass molecules that can form liquid crystals have been investigated for potential utility as electron-donor-type (ntype) organic semiconductors. It is envisioned that after further research to improve understanding of their physical and chemical properties, compounds of this type would be used to make thin film semiconductor devices (e.g., photovoltaic cells and field-effect transistors) on flexible electronic-circuit substrates. This investigation was inspired by several prior developments: Poly(ether-imides) [PEIs] are a class of engineering plastics that have been used extensively in the form of films in a variety of electronic applications, including insulating layers, circuit boards, and low-permittivity coatings. Wholly aromatic PEIs containing naphthalene and perylene moieties have been shown to be useful as electrochromic polymers. More recently, low-molecular-weight imides comprising naphthalene-based molecules with terminal fluorinated tails were shown to be useful as n-type organic semiconductors in such devices as field-effect transistors and Schottky diodes. Poly(etherimide)s as structural resins have been extensively investigated at NASA Langley Research Center for over 30 years. More recently, the need for multi-functional materials has become increasingly important. This n-type semiconductor illustrates the scope of current work towards new families of PEIs that not only can be used as structural resins for carbon-fiber reinforced composites, but also can function as sensors. Such a multi-functional material would permit so-called in-situ health monitoring of composite structures during service. The work presented here demonstrates that parts of the PEI backbone can be used as an n-type semiconductor with such materials being sensitive to damage, temperature, stress, and pressure. In the near future, multi-functional or "smart" composite structures are envisioned to be able to communicate such important parameters to the flight crew and provide vital information with respect to the operational status of their aircraft.

Weiser, Erik↗
DOE OSTI2022

Electronic and optical characterization of bulk single crystals of cubic boron nitride (cBN)

Cubic boron nitride (cBN) is a relatively less studied wide bandgap semiconductor despite its many promising mechanical, thermal, and electronic properties. We report on the electronic, structural, and optical characterization of commercial cBN crystal platelets. Temperature dependent transport measurements revealed the charge limited diode behavior of the cBN crystals. The equilibrium Fermi level was determined to be 0.47 eV below the conduction band, and the electron conduction was identified as n-type. Unirradiated dark and amber colored cBN crystals displayed broad photoluminescence emission peaks centered around different wavelengths. RC series zero phonon line defect emission peaks were observed at room temperature from the electron beam irradiated and oxygen ion implanted cBN crystals, making this material a promising candidate for high power microwave devices, next generation power electronics, and future quantum sensing applications.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Solid-state image sensor with focal-plane digital photon-counting pixel array

A photosensitive layer such as a-Si for a UV/visible wavelength band is provided for low light level imaging with at least a separate CMOS amplifier directly connected to each PIN photodetector diode to provide a focal-plane array of NxN pixels, and preferably a separate photon-counting CMOS circuit directly connected to each CMOS amplifier, although one row of counters may be time shared for reading out the photon flux rate of each diode in the array, together with a buffer memory for storing all rows of the NxN image frame before transfer to suitable storage. All CMOS circuitry is preferably fabricated in the same silicon layer as the PIN photodetector diode for a monolithic structure, but when the wavelength band of interest requires photosensitive material different from silicon, the focal-plane array may be fabricated separately on a different semiconductor layer bump-bonded or otherwise bonded for a virtually monolithic structure with one free terminal of each diode directly connected to the input terminal of its CMOS amplifier and digital counter for integration of the photon flux rate at each photodetector of the array.

Fossum, Eric R.↗