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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Focused helium-ion beam irradiation effects on electrical transport properties of few-layer WSe 2 : Enabling nanoscale direct write homo-junctions

Atomically thin transition metal dichalcogenides (TMDs) are currently receiving significant attention due to their promising opto-electronic properties. Tuning optical and electrical properties of mono and few-layer TMDs, such as tungsten diselenide (WSe 2 ), by controlling the defects, is an intriguing opportunity to synthesize next generation two dimensional material opto-electronic devices. Here, we report the effects of focused helium ion beam irradiation on the structural, optical and electrical properties of few-layer WSe 2 , via high resolution scanning transmission electron microscopy, Raman spectroscopy, and electrical transport measurements. By controlling the ion irradiation dose, we selectively introduce precise defects in few-layer WSe 2 thereby locally tuning the resistivity and transport properties of the material. Hole transport in the few layer WSe 2 is degraded more severely relative to electron transport after helium ion irradiation. Moreover, by selectively exposing material with the ion beam, we demonstrate a simple yet highly tunable method to create lateral homo-junctions in few layer WSe 2 flakes, which constitutes an important advance towards two dimensional opto-electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Using Atom Dynamics to Map the Defect Structure Around an Impurity in Nano-Hematite

The geochemical cycling of actinides such as U is strongly controlled by Fe (oxyhydr)oxides. Indeed, the strong affinity of these minerals for U has factored into the design of geologic repositories for the long-term storage of nuclear waste. Many decades of work have focused on detailing the local coordination environment U associated with hematite (a-Fe2O3), a common and stable Fe(III) oxide, in order to better predict the fate and transport of U in the sub-surface. Here, for the first time, molecular dynamic simulations and atomically resolved electron microscopy of uranium atom mobility under the beam were used to map the topology of defect clusters surrounding structurally incorporated U in hematite. The ability to observe vacancies by means of metal atom hopping can be used to directly probe defects in other materials, with promising applications in geochemistry and materials science.

Ilton, Eugene S.↗
DOE OSTI2023

Injection mechanisms in a III -nitride light-emitting diode as seen by self-emissive electron microscopy

Here, we report on the investigation of an electrically biased high efficiency green III-nitride light-emitting diode (LED) by electron emission microscopy (EEM) using a low-energy electron microscope (LEEM). The surface of the LED was activated to negative electron affinity via deposition of a submonolayer of Cs. With the illumination column of the LEEM turned off, upon electrical injection of the LED, we directly image the hot electrons generated by eeh Auger-Meitner nonradiative processes that diffuse through the top p-Ga N layer and emit out the surface of the biased LED. By determining the source of emitted electrons using complementary electron emission spectroscopy measurements, EEM allows us to effectively map the carrier density within the LED. Using EEM, we observed nonelectron emitting regions with a density of approximately 3 × 10 8 cm -2 , identified as V-shaped defects (V-defects). This is confirmed through the corresponding dark spots of panchromatic cathodoluminescence measurements of the same sample and by plan-view transmission electron microscopy. The absence of electron emission at the sidewall of the V-defects can be attributed to several factors, including reduced carrier density in the sidewall quantum wells due to carriers traveling fast through the semipolar sidewalls before being injected into the planar quantum wells, the reduced population of hot electrons surviving diffusion through the thicker p-GaN filling in the V-defect before emission onto vacuum, and a smaller Auger-Meitner coefficient for the low In content semipolar sidewall quantum wells. The stronger electron emission observed at the ridges of most V-defects compared to the planar quantum well regions indicates larger local injected carrier densities, confirming that V-defect sidewalls allow for strong lateral carrier injection when compared to the weaker vertical injection away from the V-defect as evidenced by the weaker electron emission intensity away from the V-defects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Orbital superconductivity, defects, and pinned nematic fluctuations in the doped iron chalcogenide FeSe 0.45 Te 0.55

We demonstrate that the differential conductance, dI/dV , measured via spectroscopic imaging scanning tunneling microscopy in the doped iron chalcogenide FeSe 0.45 Te 0.55 , possesses a series of characteristic features that allow one to extract the orbital structure of the superconducting gaps. This yields nearly isotropic superconducting gaps on the two hole-like Fermi surfaces, and a strongly anisotropic gap on the electron-like Fermi surface. Moreover, we show that the pinning of nematic fluctuations by defects can give rise to a dumbbell-like spatial structure of the induced impurity bound states, and explains the related C 2 -symmetry in the Fourier transformed differential conductance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Prospects for sub-nanometer scale imaging of optical phenomena using electron microscopy

Imaging of optical phenomena at the sub-nanometer scale can offer fundamental insights into the electronic or vibrational states in atomic-scale defects, molecules, and nanoparticles, which are important in quantum information, heterogeneous catalysis, optoelectronics, and structural biology. Several techniques have surpassed the traditional Abbe diffraction limit and attained spatial resolutions down to a few nanometers, but sub-nanometer scale optics has remained elusive. Here, we propose an approach that combines spectrally specific photoabsorption with sub-nanometer scale resolution transmission electron microscopy (TEM) of photoexcited electrons. We first estimate the signal level and conditions required for imaging nanoscale optical phenomena in core-shell quantum dots (QDs) like CdS/CdTe. Furthermore, we show the possibility of imaging photoexcited states of atomic-scale defects in a monolayer hexagonal boron nitride (h-BN) using ab initio and high resolution (HR)TEM simulations. The ability to directly visualize photoexcited states at the sub-nanometer scale opens opportunities to study properties of individual quantum dots and atomic defects.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Multiscale Characterization of Additive Manufacturing Components with Computed Tomography, 3D X-ray Microscopy, and Deep Learning

Additive manufacturing (AM) facilitates the creation of complex-geometry parts, driving advancements in lightweight aerospace components, high-efficiency engine cooling channels, and customized medical implants. However, ensuring the quality and reliability of AM parts remains challenging due to internal defects, surface irregularities, porosity, and residual trapped powder, which are often inaccessible to traditional inspection methods. Recent developments in X-ray computed tomography (XCT) and 3D X-ray microscopy (XRM), particularly systems equipped with resolution-at-a-distance (RaaD™) capabilities, enable high-resolution, non-destructive evaluation of AM components across multiple scales, from sub-micrometer to macroscopic levels. This paper explores modern XCT and XRM techniques for multiscale characterization of AM parts, focusing on their ability to detect and analyze defects such as porosity, cracks, inclusions, and surface roughness, while offering insights into defect formation mechanisms, material properties, and process-induced variations. The integration of deep learning (DL) frameworks, including Simurgh, DeepRecon, and DeepScout, enhances XCT/XRM workflows by reducing scan times, improving resolution recovery, and enabling accurate defect detection even with limited projection data. These DL-based methods overcome limitations of traditional reconstruction techniques, enabling faster, more reliable characterization of dense materials like Inconel 718 and novel alloys such as AlCe. Applications include process parameter optimization, high-throughput quality control, and multistage AM process evaluation, with DL-enhanced workflows accelerating analysis times from weeks to days. Correlative imaging approaches further validate XCT and XRM data against scanning electron microscopy (SEM) images of physically sectioned samples, confirming the accuracy of DL-based reconstructions and enabling comprehensive defect analysis. While challenges remain in generalizing DL models to diverse materials and imaging conditions, improvements in resolution, noise reduction, and defect detection highlight the transformative potential of these methods. This multiscale and correlative approach enables precise identification and correlation of microstructural features with the overall performance of AM components. By integrating advanced XCT, XRM, and DL techniques, this paper demonstrates a significant leap forward in AM characterization, offering valuable insights into the relationships between processing parameters, microstructure, and part performance, and driving innovations that enhance the quality and reliability of AM products for demanding industrial applications.

Additive manufacturing↗
DOE OSTI2014

Natural nanostructure and superlattice nanodomains in AgSbTe{sub 2}

AgSbTe{sub 2} has long been of interest for thermoelectric applications because of its favorable electronic properties and its low lattice thermal conductivity of ∼0.7 W/mK. In this work, we report new findings from a high-resolution transmission electron microscopy study revealing two nanostructures in single crystal Ag{sub 1−x}Sb{sub 1+x}Sb{sub 2+x} (with x = 0, 0.1, 0.2); (i) a rippled natural nanostructure with a period of ∼2.5–5 nm and (ii) superlattice ordered nanodomains consistent with cation ordering predicted in previous density functional theory studies. These nanostructures, combined with point-defects, probably serve as sources of scattering for phonons, thereby yielding a low lattice thermal conductivity over a wide temperature range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Nanodot formation induced by femtosecond laser irradiation

The femtosecond laser generation of ZnSe nanoscale features on ZnSe surfaces was studied. Irradiation with multiple exposures produces 10–100 nm agglomerations of nanocrystalline ZnSe while retaining the original single crystal structure of the underlying material. The structure of these nanodots was verified using a combination of scanning transmission electron microscopy, scanning electron microscopy, and atomic force microscopy. The nanodots continue to grow hours after irradiation through a combination of bulk and surface diffusion. We suggest that in nanodot formation the result of ultrafast laser induced point defect formation is more than an order of magnitude below the ZnSe ultrafast melt threshold fluence. This unique mechanism of point defect injection will be discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

TEM and XPS studies on the faceted nanocrystals of Ce{sub 0.8}Zr{sub 0.2}O{sub 2}

Faceted nanocrystals of Ce{sub 0.8}Zr{sub 0.2}O{sub 2} synthesised by co-precipitation method were characterised by X-ray diffraction, high-resolution transmission electron microscopy, thermogravimetry–differential scanning calorimetry and X-ray photoelectron spectroscopy techniques. The nanocrystals were highly faceted and exhibited a cubic phase. X-ray photoelectron spectroscopy analyses confirmed the presence of vacancy related defects and revealed the presence of ~ 22% of Ce{sup 3} {sup +} in the nanopowders. High-resolution transmission electron microscopy results confirmed that the nanocrystal sizes are around 31 ± 5 nm and the obtained hexagonal cross-section shape is bound by hexagonal (111) and square (100) facets. The shape-controlled nanocrystals were synthesised without using any surfactants or complexing agents and retained their morphology beyond 800 °C. This is a simple and easy method for producing shape-controlled Ce{sub 0.8}Zr{sub 0.2}O{sub 2} nanoparticles which can be used for catalytic conversion and other related advanced technological areas. - Graphical abstract: Display Omitted - Highlights: • Synthesis of Ce{sub 0.8}Zr{sub 0.2}O{sub 2} faceted nanocrystal of hexagonal morphology. • Nanopowders synthesised without any surfactant; retained morphology beyond 800 °C. • XPS analyses confirm the potential of these powders for catalytic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Noble gas ion beams in materials science for future applications and devices

Helium ion microscopy (HIM), enabled by a gas field ion source (GFIS), is an emerging imaging and nanofabrication technique compatible with many applications in materials science. The scanning electron microscope (SEM) has become ubiquitous in materials science for high-resolution imaging of materials. However, due to the fundamental limitation in focusing of electron beams, ion-beam microscopy is now being developed (e.g., at 20 kV the SEM beam diameter ranges from 0.5 to 1 nm, whereas the HIM offers 0.35 nm). The key technological advantage of the HIM is in its multipurpose design that excels in a variety of disciplines. The HIM offers higher resolution than the best available SEMs as well as the traditional gallium liquid-metal ion source (LMISs) focused ion beams (FIBs), and is capable of imaging untreated biological or other insulating samples with unprecedented resolution, depth of field, materials contrast, and image quality. GFIS FIBs also offer a direct path to defect engineering via ion implantation, three-dimensional direct write using gaseous and liquid precursors, and chemical-imaging options with secondary ion mass spectrometry. HIM covers a wide range of tasks that otherwise would require multiple tools or specialized sample preparation. In this paper, we describe the underlying technology, present materials, relevant applications, and offer an outlook for the potential of FIB technology in processing materials.

2D materials↗
DOE OSTI2025

Nanoscale modulation of flat bands via controllable charge density wave defects in 4⁢𝐻⁡𝑏−Ta⁢S 2

Electron correlation is a main driver of exotic quantum phases and their interplay. The 4H b-TaS 2 system, possessing an intrinsic heterostructure of 1T- and 1H -TaS 2 monolayers, offers a unique opportunity to control electron correlation by distorting the atomic lattice or tuning interlayer coupling. Here, we investigated intrinsically deformed charge-density waves (CDWs) in the 1T layer of 4H b-TaS 2 to elucidate and control their effects on flat bands using scanning tunneling microscopy and spectroscopy (STM/S) combined with first-principles calculations. We identified two types of CDW defects: Type 1 has structural distortion and locally suppressed flat bands, while Type 2 features an increased flat band filling factor of intact CDW structure. Density functional theory calculations indicate that a sulfur vacancy in the 1T layer distorts the CDW structure and gives rise to a Type 1, whereas a sulfur vacancy in the 1H layer reduces the interlayer charge transfer and leads to a Type 2. Furthermore, we demonstrated creating and erasing individual CDW defects via STM manipulation. Here, our findings provide a pathway to not only tune flat bands but also selectively manipulate the interaction between CDW, the atomic lattice, and interlayer coupling in strongly correlated systems with atomic precision.

Charge density waves↗
DOE OSTI2013

Electrical and structural characteristics of metamorphic In{sub 0.38}Al{sub 0.62}As/In{sub 0.37}Ga{sub 0.63}As/In{sub 0.38}Al{sub 0.62}As HEMT nanoheterostructures

The influence of the metamorphic buffer design and epitaxial growth conditions on the electrical and structural characteristics of metamorphic In{sub 0.38}Al{sub 0.62}As/In{sub 0.37}Ga{sub 0.63}As/In{sub 0.38}Al{sub 0.62}As high electron mobility transistor (MHEMT) nanoheterostructures has been investigated. The samples were grown on GaAs(100) substrates by molecular beam epitaxy. The active regions of the nanoheterostructures are identical, while the metamorphic buffer In{sub x}Al{sub 1-x}As is formed with a linear or stepwise (by {Delta}{sub x} = 0.05) increase in the indium content over depth. It is found that MHEMT nanoheterostructures with a step metamorphic buffer have fewer defects and possess higher values of two-dimensional electron gas mobility at T = 77 K. The structures of the active region and metamorphic buffer have been thoroughly studied by transmission electron microscopy. It is shown that the relaxation of metamorphic buffer in the heterostructures under consideration is accompanied by the formation of structural defects of the following types: dislocations, microtwins, stacking faults, and wurtzite phase inclusions several nanometers in size.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Graphene-driven correlated electronic states in one dimensional defects within WS2

Tomonaga-Luttinger liquid (TLL) behavior in one-dimensional systems has been predicted and shown to occur at semiconductor-to-metal transitions within two-dimensional materials. Reports of one-dimensional defects hosting a Fermi liquid or a TLL have suggested a dependence on the underlying substrate, however, unveiling the physical details of electronic contributions from the substrate require cross-correlative investigation. Here, we study TLL formation within defectively engineered WS2 atop graphene, where band structure and the atomic environment is visualized with nano angle-resolved photoelectron spectroscopy, scanning tunneling microscopy and spectroscopy, and non-contact atomic force microscopy. Correlations between the local density of states and electronic band dispersion elucidated the electron transfer from graphene into a TLL hosted by one-dimensional metal (1DM) defects. It appears that the vertical heterostructure with graphene and the induced charge transfer from graphene into the 1DM is critical for the formation of a TLL.

Rossi, Antonio↗
DOE OSTI2018

Influence of Nonstoichiometry on Proton Conductivity in Thin-Film Yttrium-Doped Barium Zirconate

Proton-conducting perovskites have been widely studied because of their potential application as solid electrolytes in intermediate temperature solid oxide fuel cells. Structural and chemical heterogeneities can develop during synthesis, device fabrication, or service, which can profoundly affect proton transport. Here, we use time-resolved Kelvin probe force microscopy, scanning transmission electron microscopy, atom probe tomography, and density functional theory calculations to intentionally introduce Ba-deficient planar and spherical defects and link the resultant atomic structure with proton transport behavior in both stoichiometric and nonstoichiometric epitaxial, yttrium-doped barium zirconate thin films. The defects were intentionally induced through high-temperature annealing treatment, while maintaining the epitaxial single crystalline structure of the films, with an overall relaxation in the atomic structure. As a result, the annealed samples showed smaller magnitudes of local lattice distortions because of the formation of proton polarons, thereby leading to decreased proton-trapping effect. This resulted in a decrease in the activation energy for proton transport, leading to faster proton transport.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Strain mapping at nanometer resolution using advanced nano-beam electron diffraction

In this work, we report on the development of a nanometer scale strain mapping technique by means of scanning nano-beam electron diffraction. Only recently possible due to fast acquisition with a direct electron detector, this technique allows for strain mapping with a high precision of 0.1% at a lateral resolution of 1 nm for a large field of view reaching up to 1 μm. We demonstrate its application to a technologically relevant strain-engineered GaAs/GaAsP hetero-structure and show that the method can even be applied to highly defected regions with substantial changes in local crystal orientation. Strain maps derived from atomically resolved scanning transmission electron microscopy images were used to validate the accuracy, precision and resolution of this versatile technique.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Advanced data mining in field ion microscopy

Field ion microscopy (FIM) allows to image individual surface atoms by exploiting the effect of an intense electric field. Widespread use of atomic resolution imaging by FIM has been hampered by a lack of efficient image processing/data extraction tools. Recent advances in imaging and data mining techniques have renewed the interest in using FIM in conjunction with automated detection of atoms and lattice defects for materials characterization. After a brief overview of existing routines, we review the use of machine learning (ML) approaches for data extraction with the aim to catalyze new data-driven insights into high electrical field physics. Apart from exploring various supervised and unsupervised ML algorithms in this context, we also employ advanced image processing routines for data extraction from large sets of FIM images. The outcomes and limitations of such routines are discussed, and we conclude with the possible application of energy minimization schemes to the extracted point clouds as a way of improving the spatial resolution of FIM.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dopant Compensation within the Intrinsic Poly-Si Isolation Region in Poly-Si/SiOx Passivated IBC Si Solar Cells

We report on the effect of dopant compensation within intrinsic poly-Si regions between p- and n-type fingers of poly-Si/SiOx passivated interdigitated back contact (IBC) solar cells using intrinsic poly-Si as the isolation region between the doped poly-Si fingers. First, we show that dopants from the doped fingers contaminate the intrinsic gap, resulting in doping of the entire intrinsic gap and overlap of the dopant tails from each finger. Next, we show that despite this doping across the gap, shunting between the doped fingers does not occur. We show that this is a result of trap-assisted compensation creating a highly resistive intrinsic region, preventing shunt. We simulate shunt resistance across the gap based on local carrier concentration and deep trap density. We show that trap defects within the poly-Si enhance compensation between the dopant tails. We experimentally confirm these predictions by scanning spreading resistance microscopy of the gap showing ~20 um domain with resistivity ~10^7 ..omega.. cm. Additionally, Kelvin probe force microscopy are compared to finite element simulations which result in the same approximate shape for potential profile, indicating diode behavior across the isolation region. These results demonstrate the powerful effect that trap defects have within the poly-Si isolation region and suggest that precision patterning is not as essential as once thought.

dopant compensation↗
DOE OSTI2014

Direct detection of spontaneous polarization in wurtzite GaAs nanowires

We demonstrate the direct detection of spontaneous polarization in the wurtzite crystal phase of gallium-arsenide (GaAs) nanowires. Using differential phase contrast microscopy (DPC) in a scanning transmission electron microscope, we map the differences in charge distribution between the zinc-blende and wurtzite crystal phases and use twin defects in the zinc-blende phase to quantify the polarization strength. The value of 2.7 × 10{sup −3} C/m{sup 2} found for the polarization strength matches well with theoretical predictions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗