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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Unveiling defect-mediated carrier dynamics in monolayer semiconductors by spatiotemporal microwave imaging

The optoelectronic properties of atomically thin transition-metal dichalcogenides are strongly correlated with the presence of defects in the materials, which are not necessarily detrimental for certain applications. For instance, defects can lead to an enhanced photoconduction, a complicated process involving charge generation and recombination in the time domain and carrier transport in the spatial domain. Here, we report the simultaneous spatial and temporal photoconductivity imaging in two types of WS 2 monolayers by laser-illuminated microwave impedance microscopy. The diffusion length and carrier lifetime were directly extracted from the spatial profile and temporal relaxation of microwave signals, respectively. Time-resolved experiments indicate that the critical process for photoexcited carriers is the escape of holes from trap states, which prolongs the apparent lifetime of mobile electrons in the conduction band. As a result, counterintuitively, the long-lived photoconductivity signal is higher in chemical-vapor deposited (CVD) samples than exfoliated monolayers due to the presence of traps that inhibits recombination. Overall, our work reveals the intrinsic time and length scales of electrical response to photoexcitation in van der Waals materials, which is essential for their applications in optoelectronic devices.

42 ENGINEERING↗
DOE OSTI2015

Imaging of Formaldehyde Adsorption and Diffusion on TiO2(110)

Surface reactions of formaldehyde with reduced TiO2(110) surfaces have been studied using variable-temperature scanning tunneling microscopy (STM) and density functional theory (DFT). STM results show that formaldehyde preferably adsorbs on the bridging bonded oxygen (Ob) vacancy (VO) defect site. Bias-dependent STM images show that both the Ti-bound CH2O and the VO-bound CH2O are positioned between the Ob row and the Ti row. The VO-bound formaldehyde rotates at 95 K. It starts to diffuse along the Ob row as –CH2– at ~170 K and starts to diffuse along the Ti row as a molecule at ~215 K. However, the stabilities and the configurations of the Ti-bound and the VO-bound formaldehyde calculated using DFT are not in line with the experimental results. The values of diffusion barriers determined experimentally and theoretically are also different. The discrepancy between the experiment and theory indicates the presence of a complex charge distribution related to the defects.

defects↗
DOE OSTI2018

Corrosion Behavior of 316L Stainless Steel Fabricated by Selective Laser Melting Under Different Scanning Speeds

This work discussed the effects of different scanning speeds (800, 1083, 1200 and 1400 mm/s) on the microstructure of 316L stainless steel manufactured by selective laser melting (SLM) and the related corrosion behavior. Results showed that there were more voids with faster scanning speeds, and there were oxide powder and non-melt silicon inside the defects. The SLM 316L exhibited a full gamma austenite phase filled with sub-grains, and the average grain size of SLM-1083 mm/s 316L was approximately 42 μm, three times larger than that of the quenched 316L. The pitting potentials for the SLM 316L were all approximately 300 mV higher than that of the quenched due to the modification of inclusions in SLM, but the corrosion rate for the SLM 316L was faster, which was attributed to the voids and unstable passive film. The number of pitting sites increased with the scanning speed, and the pits occurred preferentially at the voids in SLM 316L.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Direct observation of vast off-stoichiometric defects in single crystalline SnSe

Single crystalline tin selenide (SnSe) recently emerged as a very promising thermoelectric material for waste heat harvesting and thermoelectric cooling, due to its record high figure of merit ZT in mediate temperature range. The most striking feature of SnSe lies in its extremely low lattice thermal conductivity as ascribed to the anisotropic and highly distorted Sn-Se bonds as well as the giant bond anharmonicity by previous studies, yet no theoretical models so far can give a quantitative explanation to such low a lattice thermal conductivity. Here, we presented direct observation of an astonishingly vast number of off-stoichiometric Sn vacancies and Se interstitials, using sophisticated aberration corrected scanning transmission electron microscope; and credited the previously reported ultralow thermal conductivity of the SnSe single crystalline samples partly to their off-stoichiometric feature. In order to further validate the conclusion, we also synthesized stoichiometric SnSe single crystalline samples, and illustrated that the lattice thermal conductivity is deed much higher as compared with the off-stoichiometric single crystals. Finally, the scattering efficiency of individual point defect on heat-carrying phonons was then discussed in the state-of-art Debye-Callaway model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Compressed Sensing of Scanning Transmission Electron Microscopy (STEM) With Nonrectangular Scans

Scanning transmission electron microscopy (STEM) has become the main stay for materials characterization on atomic level, with applications ranging from visualization of localized and extended defects to mapping order parameter fields. In recent years, attention has focused on the potential of STEM to explore beam induced chemical processes and especially manipulating atomic motion, enabling atom-by-atom fabrication. These applications, as well as traditional imaging of beam sensitive materials, necessitate increasing the dynamic range of STEM in imaging and manipulation modes, and increasing the absolute scanning speed which can be achieved by combining sparse sensing methods with nonrectangular scanning trajectories. We have developed a general method for real-time reconstruction of sparsely sampled images from high-speed, noninvasive and diverse scanning pathways, including spiral scan and Lissajous scan. This approach is demonstrated on both the synthetic data and experimental STEM data on the beam sensitive material graphene. This work opens the door for comprehensive investigation and optimal design of dose efficient scanning strategies and real-time adaptive inference and control of e-beam induced atomic fabrication.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Significantly Enhanced Emission Stability of CsPbBr 3 Nanocrystals via Chemically Induced Fusion Growth for Optoelectronic Devices

Lead–halide perovskite nanocrystals (PNCs) have attracted much attention in recent years due to their outstanding optical properties. We report here a new chemical route for triggering postsynthetic growth of CsPbBr 3 PNCs at room temperature via intentional depletion of stabilizing ligands, resulting in an immediate fusion growth of the as-synthesized PNCs. Upon fusion, the CsPbBr 3 PNCs can grow from ca. 8 nm to ca. 60 nm in lateral dimensions in 48 h, reaching about 14 nm in thickness. More importantly, it was found that the fused PNCs have significantly enhanced optical properties. They showed an exceptionally higher stability to photodegradation. They also displayed sharper emission lines and a higher quantum yield, contrary to the fact that the nanocrystals are much larger. The much-improved optical properties are attributed to the Ruddlesden–Popper (RP) planar faults formed during the fusion process and observed using atomic resolution scanning transmission electron microscopy, which are predicted to result in quantum confinement based on density-functional theory calculations. The newly grown nanocrystals with RP defects are expected to significantly improve light emission properties of the PNCs and find applications in light-emitting diodes and other optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermally driven surface phase separation in intermetallic alloys

Intermetallic compounds are widely recognized for their high-temperature phase stability and resistance to composition and structural changes. However, we reveal athermally activated bulk-to-surface mass exchange mechanism that drives surface phase separation, resulting in the formation of surface precipitates with distinct composition andstructure from the bulk matrix. Using the archetypal β-NiAl system, we show that asymmetries in vacancy formation energies between Ni and Al atoms induce preferential Ni segregation to the surface, forming Ni-rich γ'-Ni 3 Al precipitates. By integrating in-situ electron microscopy, synchrotron X-ray absorption spectroscopy and first-principles computational modeling, we establish a direct mechanistic connection between bulk thermal defect dynamics, surface compositional evolution, and phase segregation behavior. This bulk-surface coupling mechanism can be a driver of surface phase separation in multicomponent alloys under thermal stress. In conclusion, these results refine the thermodynamic boundaries of intermetallic stability and provide insights into managingthe performance and durability of intermetallic alloys for demanding high-temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Anti-site defect-induced disorder in compensated topological magnet MnBi2-xSbxTe4

Abstract The gapped Dirac-like surface states of compensated magnetic topological insulator MnBi 2-x Sb x Te 4 (MBST) are a promising host for exotic quantum phenomena such as the quantum anomalous Hall effect and axion insulating state. However, it has become clear that atomic defects undermine the stabilization of such quantum phases as they lead to spatial variations in the surface state gap and doping levels. The large number of possible defect configurations in MBST make studying the influence of individual defects virtually impossible. Here, we present a statistical analysis of the nanoscale effect of defects in MBST with x =0.64, by scanning tunnelling microscopy/spectroscopy. We identify (Bi,Sb) Mn anti-site defects to be the main source of the observed doping fluctuations, leading towards the formation of nanoscale charge puddles and effectively closing the transport gap. Our findings will guide further optimization of this material system via defect engineering, to enable exploitation of its promising properties.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Self-annihilation of inversion domains by high energy defects in III-Nitrides

Low-defect density InN films were grown on Si(111) by molecular beam epitaxy over an ∼1 μm thick GaN/AlN buffer/nucleation layer. Electron microscopy observations revealed the presence of inverse polarity domains propagating across the GaN layer and terminating at the sharp GaN/InN (0001{sup ¯}) interface, whereas no inversion domains were detected in InN. The systematic annihilation of GaN inversion domains at the GaN/InN interface is explained in terms of indium incorporation on the Ga-terminated inversion domains forming a metal bonded In-Ga bilayer, a structural instability known as the basal inversion domain boundary, during the initial stages of InN growth on GaN.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Process monitoring of additive manufacturing by using optical tomography

Parts fabricated by means of additive manufacturing are usually of complex shape and owing to the fabrication procedure by using selective laser melting (SLM), potential defects and inaccuracies are often very small in lateral size. Therefore, an adequate quality inspection of such parts is rather challenging, while non-destructive-techniques (NDT) are difficult to realize, but considerable efforts are necessary in order to ensure the quality of SLM-parts especially used for aerospace components. Thus, MTU Aero Engines is currently focusing on the development of an Online Process Control system which monitors and documents the complete welding process during the SLM fabrication procedure. A high-resolution camera system is used to obtain images, from which tomographic data for a 3dim analysis of SLM-parts are processed. From the analysis, structural irregularities and structural disorder resulting from any possible erroneous melting process become visible and may be allocated anywhere within the 3dim structure. Results of our optical tomography (OT) method as obtained on real defects are presented.

42 ENGINEERING↗
DOE OSTI2018

Interplay between bulk and edge-bound topological defects in a square micromagnet

A field-driven transformation of a domain pattern in a square micromagnet, defined in a thin film of La 0.7 Sr 0.3 MnO 3 , is discussed in terms of creation and annihilation of bulk vortices and edge-bound topological defects with half-integer winding numbers. The evolution of the domain pattern was mapped with soft x-ray photoemission electron microscopy and magnetic force microscopy. Micromagnetic modeling, permitting detailed analysis of the spin texture, accurately reproduces the measured domain state transformation. The simulations also helped stipulate the energy barriers associated with the creation and annihilation of the topological charges and thus to assess the stability of the domain states in this magnetic microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Cavity evolution at grain boundaries as a function of radiation damage and thermal conditions in nanocrystalline nickel

Enhanced radiation tolerance of nanostructured metals is attributed to the high density of interfaces that can absorb radiation-induced defects. Here, cavity evolution mechanisms during cascade damage, helium implantation, and annealing of nanocrystalline nickel are characterized via in situ transmission electron microscopy (TEM). Films subjected to self-ion irradiation followed by helium implantation developed evenly distributed cavity structures, whereas films exposed in the reversed order developed cavities preferentially distributed along grain boundaries. Post-irradiation annealing and orientation mapping demonstrated uniform cavity growth in the nanocrystalline structure, and cavities spanning multiple grains. Furthermore, these mechanisms suggest limited ability to reduce swelling, despite the stability of the nanostructure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Photoluminescence probing of light absorption centers at silica laser damage

We use photoluminescence (PL) imaging to study damage growth precursors within laser damage sites on the surface of silica. Damage site evolution is induced by multiple shots of UV nanosecond pulsed laser at various energy densities and monitored throughout the early stages of growth. Wide-field PL imaging rapidly locates microscopic light absorption centers within the silica damage site. Our quantitative analysis shows that damage sites with strong local PL intensity show a higher probability of growth upon subsequent laser pulses. Scanning electron microscopy (SEM) paired with a study of PL spectrum shows that the strong PL intensity appears from the subsurface fractures with high defect density, which provides a local light absorption center leading to significant damage growth. We believe that this result offers an efficient optical damage mitigation strategy by providing a rapid and non-destructive optical inspection approach.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Volumetric carrier injection in InGaN quantum well light emitting diodes

InGaN/GaN quantum well (QW) light emitting diodes (LEDs) are essential components of solid-state lighting and displays. However, the efficiency of long wavelength (green to red) devices is inferior to that of blue LEDs. To a large degree, this occurs because the equilibration of injected holes between multiple QWs of the active region is hindered by GaN quantum confinement and polarization barriers. This drawback could be overcome by volumetric hole injection into all QWs through semipolar QWs present on the facets of V-defects that form at threading dislocations in polar GaN-based structures. In this work, we have tested the viability of this injection mechanism and studied its properties by time-resolved and near-field spectroscopy techniques. Here, we have found that indeed the hole injection via the V-defects does take place, the mechanism is fast, and the hole spread from the V-defect is substantial, making this type of injection feasible for efficient long wavelength GaN LEDs.

InGaN/GaN quantum wells↗
NASA NTRS2011

Shape Memory Characteristics of Ti(sub 49.5)Ni(sub 25)Pd(sub 25)Sc(sub 0.5) High-Temperature Shape Memory Alloy After Severe Plastic Deformation

A Ti(49.5)Ni25Pd25Sc(0.5) high-temperature shape memory alloy is thermomechanically processed to obtain enhanced shape-memory characteristics: in particular, dimensional stability upon repeated thermal cycles under constant loads. This is accomplished using severe plastic deformation via equal channel angular extrusion (ECAE) and post-processing annealing heat treatments. The results of the thermomechanical experiments reveal that the processed materials display enhanced shape memory response, exhibiting higher recoverable transformation and reduced irrecoverable strain levels upon thermal cycling compared with the unprocessed material. This improvement is attributed to the increased strength and resistance of the material against defect generation upon phase transformation as a result of the microstructural refinement due to the ECAE process, as supported by the electron microscopy observations.

Atli, K. C.↗
DOE OSTI2016

Ceria nanoclusters on graphene/Ru(0001): A new model catalyst system

The growth of ceria nanoclusters on single-layer graphene on Ru(0001) has been examined, with a view towards fabricating a stable system for model catalysis studies. The surface morphology and cluster distribution as a function of oxide coverage and substrate temperature has been monitored by scanning tunneling microscopy (STM), whereas the chemical composition of the cluster deposits has been determined by Auger electron spectroscopy (AES). The ceria nanoparticles are of the CeO2(111)-type and are anchored at the intrinsic defects of the graphene surface, resulting in a variation of the cluster densities across the macroscopic sample surface. The ceria clusters on graphene display a remarkable stability against reduction in ultrahigh vacuum up to 900 K, but some sintering of clusters is observed for temperatures >450 K. The evolution of the cluster size distribution suggests that the sintering proceeds via a Smoluchowski ripening mechanism, i.e. diffusion and aggregation of entire clusters.

Ceria, CeO2, nanoclusters, graphene, Ru(0001), Smo↗