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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Direct‐Write Printed Contacts to Layered and 2D Materials

Advancements in fabrication methods have shaped new computing device technologies. Among these methods, depositing electrical contacts to the channel material is fundamental to device characterization. Novel layered and 2D materials are promising for next-generation computing electronic channel materials. Direct-write printing of conductive inks is introduced as a surprisingly effective, significantly faster, and cleaner method to contact different classes of layered materials, including graphene (semi-metal), MoS 2 (semiconductor), Bi-2212 (superconductor), and Fe 5 GeTe 2 (metallic ferromagnet). Based on the electrical response, the quality of the printed contacts is comparable to what is achievable with resist-based lithography techniques. These devices are tested by sweeping gate voltage, temperature, and magnetic field to show that the materials remain pristine post-processing. This work demonstrates that direct-write printing is an agile method for prototyping and characterizing the electrical properties of novel layered materials.

2D materials↗
DOE OSTI2022

Monolayer-like lattice dynamics in bulk WSe 2

Understanding the microscopic lattice dynamics is essential for regulating the thermal properties in two-dimensional layered materials. In transition metal dichalcogenides, the layered structures result in different but closely related phonon dispersions between monolayer and bulk. Here, by combining inelastic X-ray scattering and first-principles calculations, the lattice dynamics of tungsten diselenide (WSe 2 ) was investigated comprehensively, and a monolayer-like lattice dynamics in the bulk WSe 2 was revealed. We performed the first temperature-dependent phonon dispersions measurement and obtained the mode Grüneisen parameters of bulk WSe 2 , which are found to be in better agreement with the calculations on the monolayer system than those of the bulk. This observation indicates that lattice dynamics in bulk WSe 2 hold the characteristic of monolayers. The result provides valuable insights into the thermal properties of WSe 2 -based devices.

36 MATERIALS SCIENCE↗
NASA NTRS2007

Optical Properties of Multi-Layered Insulation

Multi-layer insulation, MLI, is a material used on rocket bodies and satellites mainly for thermal insulation. MLI can be comprised of a variety of materials, layer numbers, and dimensions based on its purpose. A common composition of MLI consists of outer facing copper-colored Kapton with an aluminized backing for the top and bottom layers and the middle consisting of alternating layers of DARCON or Nomex netting with aluminized Mylar. If this material became separated from the spacecraft or rocket body its orbit would vary greatly in eccentricity due to its high area to mass (A/m) and susceptibility to solar radiation pressure perturbations. Recently a debris population was found with high A/m, which could be MLI. Laboratory photometric measurements of one intact piece and three different layers of MLI is presented in an effort to predict the characteristics of a MLI light curve and aid in identifying the source of the new population. For this paper, the layers used will be consistent with the common MLI mentioned in the above paragraph. Using a robotic arm, the piece was rotated from 0-360 degrees in one degree increments along the object s longest axis. Laboratory photometric data was recorded with a CCD camera using various filters (Johnson B, Johnson V and Bessell R). The measurements were taken at an 18 degree (light-object-camera) phase angle. As expected, the MLI pieces showed characteristics similar to a bimodal magnitude plot of a flat plate, but with more photometric features, dependant upon the layer of MLI. Time exposures varied from piece to piece such that the amount of pixels saturated would be minimal. In addition to photometric laboratory measurements, laboratory spectral measurements are shown for the same MLI samples. Spectral data will be combined to match the wavelength region of photometric data so a measure of truth can be established for the photometric measurements. Spectral data shows a strong absorption feature near 4800 angstroms, which is due to the copper color of Kapton. If the debris is MLI and the outer layer of copper coloring of Kapton is present, evidence would be seen spectrally by the specific absorption feature as well as using R-B (red-blue) light curves. Using laboratory photometric measurements and the results from spectral laboratory measurements, an optical property database is provided for an object with a high A/m. The benefits of this database for remote optical measurements of orbital debris are shown by illustrating the optical properties expected for a high A/m object, specifically common satellite and rocket body MLI.

Rodriguez, Heather M.↗
DOE OSTI2025

Controlling N speciation in solution synthesis of N-doped carbon materials

Carbon-based materials, such as graphite and its functionalized/doped derivatives, are promising lightweight layered materials for hydrogen activation and storage. Their propensity to control the thermodynamics of hydrogen binding and the kinetics of hydrogen mobility strongly depends on the speciation and the arrangement of dopants. In this study, we demonstrate precise control over dopant speciation and clustering in nitrogen-containing layered carbon materials during hydrothermal synthesis. Through extensive spectroscopic characterization and first principles simulations, we demonstrate that the formation of N-motifs can be controlled by the choice of precursor and synthesis temperature. The distinct three-dimensional architecture and porosity in graphene oxide and carbon nitride-derived materials furnish a synthetic pathway for precise control over the local and global structure of nitrogen-doped carbon materials and their activity toward the activation of molecular hydrogen.

Byun, Mi Yeon [Pacific Northwest National Laborato↗
DOE OSTI2020

Photocarrier Dynamics in TlGaS 2 Nanoflakes and van der Waals Heterostructures with Hexagonal Boron Nitride and WS 2 Nanoflakes: Implications for Optoelectronic Applications

We present an experimental investigation on photocarrier dynamics in a TlGaS 2 bulk crystal and its heterostructures with hexagonal BN and WS 2 . The samples were obtained by mechanical exfoliation and dry transfer techniques. The photocarrier dynamics was monitored by a transient absorption technique. We observed a direct optical transition of about 555 nm in the TlGaS 2 crystal. By utilizing transient absorption of that transition, we obtained a hot-carrier energy relaxation time of less than 1 ps and a carrier lifetime of about 300 ps in TlGaS 2 at room temperature. In the hexagonal-BN-TlGaS 2 heterostructure, the photocarrier dynamics was similar to that in TlGaS 2 , indicating the type-I band alignment of this structure with both band extremes located in TlGaS 2 . In the monolayer WS 2 -TlGaS 2 heterostructure, we observed charge transfer from TlGaS 2 to WS 2 and an extended lifetime of the transferred carriers in WS 2 . Here, these results introduce TlGaS 2 as a promising layered material for developing two-dimensional van der Waals materials that can be combined with other two-dimensional materials for various optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Crossover behavior in the magnetoresistance of thin flakes of the topological material ZrTe 5

ZrTe 5 is a layered material that exhibits intricate topological effects. Intensive theoretically and experimental efforts have been devoted to try to understand the physics in this materials. In this paper the temperature dependent magneto-transport properties of ZrTe 5 thin flakes are investigated. A characteristic temperature T* is observed in the temperature dependence of three different types of magnetoresistance simultaneously, which are the saturated Hall anomaly, the chiral anomaly and the longitudinal magnetoresistance. Furthermore, the value of T* decreases monotonically from 200K to 160K with increasing thickness of the ZrTe 5 thin flakes from 42nm to 89nm. Temperature induced topological phase transitions are attributed to the cause of such anomaly in the three types of magnetoresistance at T*. Overall, our findings provide a multi-parameter indicator for the emergence of topological phase transition in ZrTe 5 and could be extended to the study of other topological materials. The temperature dependence of the three types of magnetoresistance also shed light on the role of anomalous Hall Effect in the transport properties of ZrTe 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Local Resistance Measurement for Degradation of c-Si Heterojunction with Intrinsic Thin Layer (HIT) Solar Modules

Silicon heterojunction with intrinsic thin layer (or HIT) modules typically degrade at a rate of less than 1% annually in solar fields with dominant degradation in open-circuit voltage and some degradation in series resistance. However, detailed mechanisms can differ from module to module. Here, we study increases in local series resistance that occur over long-term field deployment, indicated by cell areas where the photoluminescence intensity does not degrade but the electroluminescence degrades significantly. To directly measure the local series resistance, we have cored out the local electroluminescence-degraded area, and we measured the sheet resistance by 4-point-probe and local nm-scale resistance using scanning spreading resistance microscopy (SSRM). The results by 4-point-probe show scattered sheet resistance that can be caused, for example, by nonuniform current paths through the transparent conductive oxide layer, the a-Si:H emitter, or the near-junction c-Si inversion layer. In contrast, the SSRM results indicate a relatively uniform and non-degraded resistivity on smaller nanometer spatial scales. SSRM is an atomic force microscopy-based two-terminal resistance mapping technique that measures the local resistance in nm-volume beneath the probe. The consistent resistances measured on the control and degraded samples can exclude the degradation of transparent conductive oxide resistance.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2025

Single photon emitters in van der Waals solids for quantum photonics: materials, theory and molecular-scale characterization probes

Strong light–matter interactions in two-dimensional layered materials (2D materials) have attracted the interest of researchers from interdisciplinary fields for more than a decade now. A unique phenomenon in some 2D materials is their large exciton binding energies (BEs), increasing the likelihood of exciton survival at room temperature. It is this large BE that mediates the intense light–matter interactions of many of the 2D materials, particularly in their monolayer limit, where the interplay of excitonic phenomena poses a wealth of opportunities for high-performance optoelectronics and quantum photonics. Within quantum photonics, quantum information science (QIS) is growing rapidly, where photons are a promising platform for information processing due to their low-noise properties, excellent modal control, and long-distance propagation. A central element for QIS applications is a single photon emitter (SPE) source, where an ideal on-demand SPE emits exactly one photon at a time into a given spatiotemporal mode. Recently, 2D materials have shown practical appeal for QIS which is directly driven from their unique layered crystalline structure. This structural attribute of 2D materials facilitates their integration with optical elements more easily than the SPEs in conventional three-dimensional solid state materials, such as diamond and SiC. In this review article, we will discuss recent advances made with 2D materials towards their use as quantum emitters, where the SPE emission properties maybe modulated deterministically. Here, the use of unique scanning tunneling microscopy tools for the in-situ generation and characterization of defects is presented, along with theoretical first-principles frameworks and machine learning approaches to model the structure-property relationship of exciton–defect interactions within the lattice towards SPEs. Given the rapid progress made in this area, the SPEs in 2D materials are emerging as promising sources of nonclassical light emitters, well-poised to advance quantum photonics in the future.

2D layered materials↗
DOE OSTI2024

A chemical perspective on the chiral induced spin selectivity effect

ABSTRACT This review discusses opportunities in chemistry that are enabled by the chiral induced spin selectivity (CISS) effect. First, the review begins with a brief overview of the seminal studies on CISS. Next, we discuss different chiral material systems whose properties can be tailored through chemical means, with a special emphasis on hybrid organic-inorganic layered materials that exhibit some of the largest spin filtering properties to date. Then, we discuss the promise of CISS for chemical reactions and enantioseparation before concluding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Effects of fiber and interfacial layer architectures on the thermoplastic response of metal matrix composites

Examined here is the effect of fiber and interfacial layer morphologies on thermal fields in metal matrix composites (MMCs). A micromechanics model based on an arbitrarily layered concentric cylinder configuration is used to calculate thermal stress fields in MMCs subjected to spatially uniform temperature changes. The fiber is modelled as a layered material with isotropic or orthotropic elastic layers, whereas the surrounding matrix, including interfacial layers, is treated as a strain-hardening, elastoplastic, von Mises solid with temperature-dependent parameters. The solution to the boundary-value problem of an arbitrarily layered concentric cylinder under the prescribed thermal loading is obtained using the local/global stiffness matrix formulation originally developed for stress analysis of multilayered elastic media. Examples are provided that illustrate how the morphology of the SCS6 silicon carbide fiber and the use of multiple compliant layers at the fiber/matrix interface affect the evolution of residual stresses in SiC/Ti composites during fabrication cool-down.

Pindera, Marek-Jerzy↗
NASA NTRS2001

Mars Eolian Geology at Airphoto Scales: The Large Wind Streaks of Western Arabia Terra

More than 27,000 pictures at aerial photograph scales (1.5-12 m/pixel) have been acquired by the Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) since September 1997. The pictures are valuable for testing hypotheses about geologic history and processes of Mars. Of particular interest are eolian features connected to surface albedo patterns. This work is focused on low-albedo wind streaks, some over 100 km long, in western Arabia Terra. Each streak is widest where it originates at an impact crater (typically 25-150 km diameter). The streaks taper downwind. Within the associated craters there is a lower-albedo surface that, in nearly all observed cases, includes barchan dunes indicative of transport in the same direction as the wind streaks. Upwind of the dunes there is usually an outcrop of layered material that might have served as a source for dune sand. MOC images show that the west Arabia streaks consist of a smooth-surfaced, multiple-meters-thick, mantle (smooth at 1.5 m/pixel) that appears to be superposed on local surfaces. No dunes are present, indicating that down-streak transport of sediment via saltation and traction have not occurred. Two models might explain the observed properties: (1) the streaks consist of dark silt- and clay-sized grains deflated from the adjacent crater interiors and deposited from suspension or (2) they are remnants (protected in the lee of impact crater rims) of a formerly much larger, regional covering of low albedo, smooth-surfaced mantle. The latter hypothesis is based on observation of low albedo mantled surfaces occurring south of west Arabia in Terra Meridiani. For reasons yet unknown, a large fraction of the martian equatorial regions are covered by low albedo, mesa-forming material that lies unconformably atop eroded layered and cratered terrain. Both hypotheses are being explored via continued selective targeting of new MOC images as well as analyses of the new data.

Edgett, Kenneth S.↗
NASA NTRS1985

Normal modes in an overmoded circular waveguide coated with lossy material

The normal modes in an overmoded waveguide coated with a lossy material are analyzed, particularly for their attenuation properties as a function of coating material, layer thickness, and frequency. When the coating material is not too lossy, the low-order modes are highly attenuated even with a thin layer of coating. This coated guide serves as a mode suppressor of the low-order modes, which can be particularly useful for reducing the radar cross section (RCS) of a cavity structure such as a jet inlet. When the coating material is very lossy, low-order modes fall into two distinct groups: highly and lowly attenuated modes. However, as a/lambda (a = radius of the cylinder; lambda = the free-space wavelength) increases, the separation between these two groups becomes less distinctive. The attenuation constants of most of the low-order modes become small, and decrease as a function of lambda sup 2/a sup 3.

Lee, C. S.↗
NASA NTRS1986

Normal modes in an overmoded circular waveguide coated with lossy material

The normal modes in an overmoded waveguide coated with a lossy material are analyzed, particularly for their attenuation properties as a function of coating material, layer thickness, and frequency. When the coating material is not too lossy, the low-order modes are highly attenuated even with a thin layer of coating. This coated guide serves as a mode suppressor of the low-order modes, which can be particularly useful for reducing the radar cross section of a cavity structure such as a jet engine inlet. When the coating material is very lossy, low-order modes fall into two distinct groups: highly and lowly attenuated modes. However, as a/lambda (a = radius of the cylinder; lambda = the free-space wavelength) increases, the separation between these two groups becomes less distinctive. The attenuation constants of most of the low-order modes become small and decrease as a function of lambda-squared/a-cubed.

Lee, C. S.↗
DOE OSTI2023

Doping strategy for layered oxide electrode materials used in lithium-ion batteries

The present invention features a new way of doping layered cathode materials in lithium ion batteries. Using a “high entropy” doping strategy, more than four impurity elements can be introduced to the host materials. The present invention applies this high entropy doping strategy to a high nickel content layered oxide material and a lithium-manganese rich material. This new high entropy doping strategy allows the layered oxide materials used in the positive electrode of lithium ion battery to achieve high energy density, long life cycle and reduced reliance on the expensive and toxic cobalt, all of which are desired attributes for improving the performance of lithium ion batteries and reducing their cost.

Xin, Huolin↗
DOE OSTI2024

Materials genome innovation for computational software (magics) center

Functional layered material (LM) architectures will dominate nanomaterials science in this century. We have developed theory, modeling, simulation, and software and data tools that enhance understanding and AI guide synthesis, enable characterization of complex structures, and improve capabilities in the predictive design and growth of LMs. Research at the Center has focused on: Computational synthesis and characterization: AI guided synthesis and experimental synthesis of stacked LMs with tailored properties via optimized chemical vapor deposition (CVD) growth and liquid-phase exfoliation; study defects, edges, grain boundaries, wrinkling of atomic layers and their effects on chemical, mechanical, electrical, and optical properties. Far-from-equilibrium processes: Joint experimental and simulation based probe of electronic processes with NAQMD and ultrafast X-ray free-electron laser (XFEL) and ultrafast electron diffraction (UED) facilities at Stanford. Experimentally validate NAQMD by ultrafast electron diffraction and X-ray spectroscopy studies of structural and excited state dynamics, shape fluctuations, and phonon dynamics. Scalable software: Simulation engines for desktop-to-exascale platforms using low-overhead, linear-scaling QMD algorithms; divide-conquer-recombine NAQMD with electronic excitations; extended-Lagrangian reactive molecular dynamics (RMD), machine learning (ML) based neural-network quantum molecular dynamics (NNQMD), and super-state accelerated molecular dynamics (AMD) and kinetic Monte Carlo codes; thermal and electrical transport software; and design 3D architectures of LMs with desired functionality using scalable software. Distribution of software and data, and training: Software and simulation-experimental data generated within the Center are distributed to the materials science community via Berkeley Materials Project (MP) framework. We have also organized three workshops for software distribution and training at USC (Nov. 2017, Mar. 2018) and Gaithersburg, MD (Nov. 2018) to train researchers, with the last one in focused on underrepresented groups, in collaboration with Howard University which is one of the largest HBCUs. The Center supported a total of 46 personnel and 6 undergraduate students. These include 14 faculty, 11 postdoctoral research associates, 20 graduate research assistants, and mentored 6 undergraduate students. This resulted in the publications of 63 research papers that include 46 publications on Reactive and Quantum Dynamics Simulations, 13 publications on Machine Learning for Quantum Materials, and 4 publications on Quantum Computing.

2D Materials↗
DOE OSTI2020

Electronic structure calculations of twisted multi-layer graphene superlattices

Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and studied, a systematic investigation of the properties of arbitrarily layered graphene assemblies is still lacking. We introduce theoretical concepts and methods for the processing of materials information, and as a case study, apply them to investigate the electronic structure of multi-layer graphene-based assemblies in a high-throughput fashion. We provide a critical discussion of patterns and trends in tight binding band structures and we identify specific layered assemblies using low-dispersion electronic bands as indicators of potentially interesting physics like strongly correlated behavior. A combination of data-driven models for visualization and prediction is used to intelligently explore the materials space. This work more generally aims to increase confidence in the combined use of physics-based and data-driven modeling for the systematic refinement of knowledge about 2D layered materials, with implications for the development of novel quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Strong laser polarization control of coherent phonon excitation in van der Waals material Fe 3 GeTe 2

Optical manipulation of coherent phonon frequency in two-dimensional (2D) materials could advance the development of ultrafast phononics in atomic-thin platforms. However, conventional approaches for such control are limited to doping, strain, structural or thermal engineering. Here, we report the experimental observation of strong laser-polarization control of coherent phonon frequency through time-resolved pump-probe spectroscopic study of van der Waals (vdW) materials Fe 3 GeTe 2 . When the polarization of the pumping laser with tilted incidence is swept between in-plane and out-of-plane orientations, the frequencies of excited phonons can be monotonically tuned by as large as 3% (~100 GHz). Our first-principles calculations suggest the strong planar and vertical inter-atomic interaction asymmetry in layered materials accounts for the observed polarization-dependent phonon frequencies, as in-plane/out-of-plane polarization modifies the restoring force of the lattice vibration differently. Our work provides insightful understanding of the coherent phonon dynamics in layered vdW materials and opens up new avenues to optically manipulating coherent phonons.

36 MATERIALS SCIENCE↗