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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Utilizing Single-Crystalline Transformations for Precise Atom Placement in Multicomponent Cluster-Based Coordination Networks

The assembly of cluster or superatom building-blocks into extended solids has revolutionized materials design, enabling the synthesis of modular semiconductors with well-defined structures and tunable electronic, magnetic or optical properties. This strategy has recently advanced the synthesis of complex metal oxides with multifunctional or emergent behaviors, but precise atom placement of multiple elements with similar chemistries or preferred coordination environments remains a significant challenge. Here, in this study, we present a strategy for synthesizing polyoxometalate (POM)-based coordination networks with up to three different cations in precisely defined positions. Our approach leverages a single-crystal-to-single-crystal (SCSC) transformation in which the spatial placement of cations is governed by their availability at distinct stages of crystallization and transformation. Specifically, [ZP 5 W 30 O 110 ] (15-n)- (Z = Na + , K + , Ca 2+ , Ag + , Bi 3+ , Y 3+ , any Ln 3+ , Th 4+ ) is coordinatively assembled with various bridging metal cations (Y 3+ , any Ln 3+ , Th 4+ ). By using the encapsulated cation (Z) to "label" the POM, we track the phase-transformation and confirm the retention of single crystallinity. The integrated use of POM labeling and SCSC transformation enables rational control over cation distribution and establishes a versatile strategy for constructing multicomponent materials with high compositional and spatial precision.

Chen, Linfeng [Univ. of California, San Diego, CA ↗
DOE OSTI2024

Healable and conductive sulfur iodide for solid-state Li–S batteries

Solid-state Li-S batteries (SSLSBs) are made of low-cost and abundant materials free of supply chain concerns. Owing to their high theoretical energy densities, they are highly desirable for electric vehicles. However, the development of SSLSBs has been historically plagued by the insulating nature of sulfur and the poor interfacial contacts induced by its large volume change during cycling, impeding charge transfer among different solid components. We report an S 9.3 I molecular crystal with I 2 inserted in the crystalline sulfur structure, which shows a semiconductor-level electrical conductivity (approximately 5.9 × 10 -7 S cm -1 ) at 25 °C; an 11-order-of-magnitude increase over sulfur itself. Iodine introduces new states into the band gap of sulfur and promotes the formation of reactive polysulfides during electrochemical cycling. Further, the material features a low melting point of around 65 °C, which enables repairing of damaged interfaces due to cycling by periodical remelting of the cathode material. As a result, an Li-S 9.3 I battery demonstrates 400 stable cycles with a specific capacity retention of 87%. The design of this conductive, low-melting-point sulfur iodide material represents a substantial advancement in the chemistry of sulfur materials, and opens the door to the practical realization of SSLSBs.

25 ENERGY STORAGE↗
DOE OSTI2023

Plasma-assisted deposition and characterization of Al 2 O 3 dielectric layers on (001) β -Ga 2 O 3

In this work, we have investigated plasma-assisted deposition of Al 2 O 3 on HVPE (001) β-Ga 2 O 3 and evaluated the dielectric quality from electrical measurements on fabricated metal-oxide-semiconductor (MOS) capacitors. The interface structure and crystallinity of the films were investigated as a function of the growth temperature. The dielectric/semiconductor interfaces were found to have reverse breakdown electric fields up to 5.3 MV/cm in the β-Ga 2 O 3 , with relatively low hysteresis in capacitance–voltage and low leakage current. We determined a negative fixed interface charge density at the interface from analysis of thickness-dependent capacitance voltage data. In conclusion, this study shows the advantage of using plasma-assisted deposition to achieve high breakdown strength Al 2 O 3 /β-Ga 2 O 3 MOS structures for device application purposes.

42 ENGINEERING↗
DOE OSTI2023

Optical stark effect on CdSe nanoplatelets with mid-infrared excitation for large amplitude ultrafast modulation

The optical Stark effect is a universal response of the electronic structure to incident light. In semiconductors, particularly nanomaterials, the optical Stark effect achieved with sub-band gap photons can drive large, narrowband, and potentially ultrafast changes in the absorption or reflection at the band gap through excitation of virtual excitons. Rapid optical modulation using the optical Stark effect is ultimately constrained, however, by the generation of long-lived excitons through multiphoton absorption. This work compares the modulation achievable using the optical Stark effect on CdSe nanoplatelets with several different pump photon energies, from the visible to mid-infrared. Despite expected lower efficiencies for spectrally-remote pump energies, infrared pump pulses can ultimately drive larger sub-picosecond optical Stark shifts of virtual excitons without creation of real excitons. Importantly, the CdSe nanoplatelets show subpicosecond shifts of the lowest excitonic resonance of up to 22 meV, resulting in change in absorption as large as 0.32 OD (49% increase in transmission), with a long-lived offset from real excitons less than 1% of the peak signal.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Ultrafast One-Dimensional Peierls-Distortion Dynamics in 1⁢T′−Re⁢S 2 Revealed by 4D Electron Microscopy

Rhenium disulfide (ReS 2 ), a prototypical 2D semiconductor with an anisotropic 1⁢T′ structure due to the pronounced Peierls distortion, has demonstrated great potential for polarization-dependent optoelectronics and photonics. Here, we report an ultrafast phase transition occurring within 1 ps, accompanied by a one-dimensional Peierls-distortion relaxation in 1⁢T′−ReS 2 revealed with combined 4D electron microscopy and time-dependent density functional theory calculations. Upon femtosecond laser pulse excitation, the Re-Re dimerization morphology rapidly transforms from a diamond cluster to zigzag chains and persists for several nanoseconds. Here, this ultrafast Peierls-distortion relaxation is further verified by transient changes in optical anisotropy via polarization-dependent transient absorption spectroscopy. Time-dependent density functional theory calculations attribute this novel phase transition to strong correlation between Peierls distortion and impulsive photoexcited carrier doping, predicting a transient band-gap collapse. This Letter opens up an exciting avenue for ultrafast control of Peierls-distortion-induced anisotropy and the metal-insulator transition in 1⁢T′−ReS 2 .

1T’-ReS2↗
DOE OSTI2023

Structure and magnetic properties of Ba 9 ⁢V 3 ⁢Te 15 with ferromagnetic spin chains

Here we report a ferromagnetic compound Ba9⁢V3⁢Te15 with quasi-one-dimensional (1D) spin chains. It was synthesized at high-temperature and high-pressure conditions and systematically investigated via structural, transport, magnetic and heat capacity measurements. Ba9⁢V3⁢Te15 mainly consists of trimerized face-sharing V⁢Te6 octahedral chains running along the 𝑐 axis, which are separated by a distance of 10.184⁢(8)⁢Å, thus demonstrating a strong 1D structural character. Ba9⁢V3⁢Te15 is a semiconductor with a band gap ∼128meV and undergoes a ferromagnetic transition with 𝑇C∼3.6K. Far above 𝑇C, the short-range spin orders due to the intrachain spin coupling have developed, which leads to a negative magnetoresistance effect, the deviation of magnetic susceptibility from the Curie-Weiss law and 𝑇1/2 dependence of magnetic heat capacity. Our results reveal that Ba9⁢V3⁢Te15 provides a good opportunity to study the intrinsic properties of a system with quasi-1D ferromagnetic spin chains.

1-dimensional spin chains↗
DOE OSTI2021

Flat-Band-Enabled Triplet Excitonic Insulator in a Diatomic Kagome Lattice

The excitonic insulator (EI) state is a strongly correlated many-body ground state, arising from an instability in the band structure of narrow-gap semiconductors towards exciton formation. Here we show that the flat valence and conduction bands of a Yin-Yang Kagome lattice, as exemplified in a superatomic graphene lattice, conspire to enable an interesting state of triplet EI, based on first-principles Density Functional Theory (DFT) calculations combined with many-body GW and Bethe-Salpeter Equation (BSE). As an intrinsic property of topological flat bands, highly localized electron and hole wavefunctions significantly reduce the screening and enhance the exchange interaction, leading to an unusually high triplet exciton binding energy (~1.2 eV) exceeding the GW band gap by ~0.2 eV and a huge singlet-triplet splitting of ~0.4 eV. Here, the flat-bands-enabled triplet EI state also points to the possibility of complete population inversion between the two topological flat bands for the realization of excited quantum spin Hall effect. Our findings enrich once again the intriguing physics of flat bands, which has drawn broad interest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tunable Few-Layer van der Waals Crystals and Heterostructures as Emerging Energy and Quantum Materials (Final Technical Report)

2D and layered (van der Waals) semiconductors offer extraordinary opportunities for manipulating optically excited charge carriers, many-body excitations, and non-charge based quantum numbers. To date, research has focused on a limited group of materials, mostly transition metal dichalcogenides in the monolayer limit. Other van der Waals semiconductors, and especially few-layer to multilayer crystals and their heterostructures, carry large potential for the discovery of phenomena of interest for future energy and information technologies. But they remain largely unexplored, often due to a lack of access to high-quality materials and approaches for measuring their properties at the relevant scales. The goal of this project was to develop an EPSCoR-State/National Laboratory Partnership that addresses the challenges of preparing high-quality van der Waals semiconductors and of probing their structure, composition, and especially their optoelectronic and photonic properties, near the atomic scale using electron microscopy techniques. A central component of the project was the development of advanced methods for electron microscopy and electron-excited spectroscopy, taking advantage of unique samples as well as leading capabilities and expertise at the partner institutions. Efforts to advance leading-edge techniques was supported by ancillary developments, such as precision sample preparation for electron microscopy/spectroscopy, coordinated chemical imaging, and analytical electron microscopy. Experiments in materials synthesis and technique development were closely linked to theory and computation. The results obtained under this project yielded multifaceted benefits to the involved partners and their institutions, DOE-BES, the wider scientific community, and society at large, particularly in the State of Nebraska through dividends from knowledge and human capital generated under the project.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Interactive graphical computer-aided design system

System is used for design, layout, and modification of large-scale-integrated (LSI) metal-oxide semiconductor (MOS) arrays. System is structured around small computer which provides real-time support for graphics storage display unit with keyboard, slave display unit, hard copy unit, and graphics tablet for designer/computer interface.

Edge, T. M.↗
NASA NTRS1984

Low-Noise Submillimeter-Wave Diode

Low noise achieved without usual high resistance. Barrier of p-type material placed between metal anode and heavily-doped gallium arsenide. Ntype epitaxial layer eliminated. Barrier prevents quantum tunneling of electrons between semiconductor and metal. Higher breakdown structure provided.

Mattauch, R. J.↗
NASA NTRS1984

High Speed Crystal Growth by Q-switched Laser Melting

The modification of the structural and electrical properties of semiconductors short radiation pulses obtained from Q-switched lasers is described. These modifications are accomplished by high heating and cooling rates. This processing revealed novel crystal growth and high speed resolidification phenomena. The behavior of semiconductor Si is analyzed. The annealing process typically employs short pulses of radiation in or near the visible region of the spectrum. The Q-switched ruby and Nd-YAG lasers are commonly used and these are sometimes mode locked to reduce the pulse length still further. Material to be annealed can be processed with a single large area radiation spot. Alternatively, a small radiation spot size can be used and a large sample area is covered by overlapping irradiated regions.

Cullis, A. G.↗
NASA NTRS1992

Photovoltaic Array Space Power flight experiment plus diagnostics (PASP+) modules

The Photovoltaic Array Space Power Plus Diagnostics flight experiment (PASP+) subsumes twelve solar array modules which represent the state of the art in the space photovoltaic array industry. Each of the twelve modules individually feature specific photovoltaic technologies such as advanced semiconductor materials, multi-bandgap structures, lightweight array designs, advanced interconnect technologies, or concentrator array designs. This paper will describe each module in detail including the configuration, components, materials, anticipated on orbit performance, and some of the aspects of each array technology. The layout of each module and the photovoltaic cells or array cross section will be presented graphically. A discussion on the environmental constraints and materials selection will be included as well as a delineation of the differences between the modules and the baseline array configuration in its intended application.

Cooley, William T.↗
NASA NTRS1995

The Fundamentals of Using the Digital Micromirror Device (DMD(TM)) for Projection Display

Developed by Texas Instruments (TI) the digital micromirror device (DMD(tm)) is a quickly emerging and highly useful micro-electro-mechanical structures (MEMS) device. Using standard semiconductor fabrication technology, the DMD's simplicity in concept and design will provide advantageous solutions for many different applications. At the rudimentary level, the DMD is a precision, semiconductor light switch. In the initial commercial development of DMD technology, TI has concentrated on projection display and hardcopy. This paper will focus on how the DMD is used for projection display. Other application areas are being explored and evaluated to find appropriate and beneficial uses for the DMD.

Yoder, Lars A.↗
NASA NTRS1997

Low Thermal Conductivity Skutterudites

Recent experimental results on semiconductors with the skutterudite crystal structure show that these materials possess attractive trasport properties and have a good potential for achieving ZT values substantially larger than for state-of-the-art thermoelectic materials.

Thermal↗
DOE OSTI2020

Structural phase transition and manifestation of eddy currents in IR reflection spectra of PbSnTe semiconductor films

Infrared reflection spectra of thin (∼60 nm) Pb{sub 1−x} Sn{sub x}Te (x = 0.25, 0.53, 0.59) films grown by molecular beam epitaxy on GaAs/CdTe hybrid substrates have been measured at frequencies from 20 to 5500 cm{sup −1} and temperatures from 5 to 300 K. The spectra have been used to determine temperature-dependent transverse phonon and plasmon frequencies in the films, which has made it possible to identify a structural phase transition at T{sub C} ≈ 50 K. The plasma frequency of the films has been shown to increase with decreasing band gap on cooling from 300 to 77 K. The increase in plasma frequency is mainly attributable to the increase in carrier concentration and a transition of the carriers from vortex states on the film surface to the valence band. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Wire-based metallization and stringing for solar cells

Wire-based metallization and stringing techniques for solar cells, and the resulting solar cells, modules, and equipment, are described. In an example, a substrate has a surface. A plurality of N-type and P-type semiconductor regions is disposed in or above the surface of the substrate. A conductive contact structure is disposed on the plurality of N-type and P-type semiconductor regions. The conductive contact structure includes a plurality of conductive wires, each conductive wire of the plurality of conductive wires essentially continuously bonded directly to a corresponding one of the N-type and P-type semiconductor regions.

Sewell, Richard Hamilton↗
DOE OSTI2023

Wire-based metallization and stringing for solar cells

Wire-based metallization and stringing techniques for solar cells, and the resulting solar cells, modules, and equipment, are described. In an example, a substrate has a surface. A plurality of N-type and P-type semiconductor regions is disposed in or above the surface of the substrate. A conductive contact structure is disposed on the plurality of N-type and P-type semiconductor regions. The conductive contact structure includes a plurality of conductive wires, each conductive wire of the plurality of conductive wires essentially continuously bonded directly to a corresponding one of the N-type and P-type semiconductor regions.

14 SOLAR ENERGY↗