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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Infrared-pump electronic-probe of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices

Organic-inorganic hybrid perovskites such as methylammonium lead iodide (CH 3 NH 3 PbI 3 ) are game-changing semiconductors for solar cells and light-emitting devices owing to their defect tolerance and exceptionally long carrier lifetimes and diffusion lengths. Determining whether the dynamically disordered organic cations with large dipole moment benefit the optoelectronic properties of CH 3 NH 3 PbI 3 has been an outstanding challenge. Herein, via transient absorption measurements employing an infrared pump pulse tuned to a methylammonium vibration, we observe slow, nanosecond-long thermal dissipation from the selectively excited organic mode to the inorganic sublattice. The resulting transient electronic signatures, during the period of thermal-nonequilibrium when the induced thermal motions are mostly concentrated on the organic sublattice, reveal that the induced atomic motions of the organic cations do not alter the absorption or the photoluminescence response of CH 3 NH 3 PbI 3 , beyond thermal effects. Our results suggest that the attractive optoelectronic properties of CH 3 NH 3 PbI 3 mainly derive from the inorganic lead-halide framework.

36 MATERIALS SCIENCE↗
DOE OSTI2019

High performance III-V photoelectrodes for solar water splitting via synergistically tailored structure and stoichiometry

Abstract Catalytic interface of semiconductor photoelectrodes is critical for high-performance photoelectrochemical solar water splitting because of its multiple roles in light absorption, electrocatalysis, and corrosion protection. Nevertheless, simultaneously optimizing each of these processes represents a materials conundrum owing to conflicting requirements of materials attributes at the electrode surface. Here we show an approach that can circumvent these challenges by collaboratively exploiting corrosion-resistant surface stoichiometry and structurally-tailored reactive interface. Nanoporous, density-graded surface of ‘black’ gallium indium phosphide (GaInP 2 ), when combined with ammonium-sulfide-based surface passivation, effectively reduces reflection and surface recombination of photogenerated carriers for high efficiency photocatalysis in the hydrogen evolution half-reaction, but also augments electrochemical durability with lifetime over 124 h via strongly suppressed kinetics of corrosion. Such synergistic control of stoichiometry and structure at the reactive interface provides a practical pathway to concurrently enhance efficiency and durability of semiconductor photoelectrodes without solely relying on the development of new protective materials.

14 SOLAR ENERGY↗
DOE OSTI2017

Probing the Hydrogen Enhanced Near-Field Emission of ITO without a Vacuum-Gap

In-situ monitoring of the multi-component gas streams in high temperature energy conversion devices offer the promises to higher efficiency via improved understanding of the chemical environments during device operation. While conventional resistive based metal oxide semiconductor gas sensors suffer from strong cross-sensitivity, optical sensing approaches offer intrinsic advantages to achieve gas selectivity based on wavelength specific interactions. This manuscript describes a novel method to achieve multicomponent gas sensing during gas exposure of H2, CO2, CH4and CO in humid high temperature environments. A single sensor element comprised of a perovskite La0.3Sr0.7TiO3(LSTO) oxide thin film layer coated on silica optical fiber was used. The sensing responses consisted of two wavelength-specific near infrared (NIR) mechanisms, namely broadband absorption associated with the metal oxide layer, and wavelength localized thermal emission responses associated with the hydroxyl defects within the silica fiber. Principal component analysis (PCA) was applied to couple the two mechanisms to achieve selective gas identification. Successful discrimination of H2and CO2on a single fiber sensor was achieved, where the results are both stable and reversible. This design demonstrates that by coupling multiple optical mechanisms on a single oxide coated fiber sensor, simple platforms can also achieve multi-component sensing functionality without the added complexity of a sensor array. Thus, it suggests a new approach to construct simple, robust and functional sensor designs capable of gas discrimination and quantification in multi-component gas streams.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Matryoshka phonon twinning in α-GaN

Understanding lattice dynamics is crucial for effective thermal management in electronic devices because phonons dominate thermal transport in most semiconductors. α -GaN has become a focus of interest as one of the most important third-generation power semiconductors, however, the knowledge on its phonon dynamics remains limited. Here we show a Matryoshka phonon dispersion of α -GaN with the complementary inelastic X-ray and neutron scattering techniques and the first-principles calculations. Such Matryoshka twinning throughout the basal plane of the reciprocal space is demonstrated to amplify the anharmonicity of the related phonons through creating abundant three-phonon scattering channels and cutting the lifetime of affected modes by more than 50%. Such phonon topology contributes to reducing the in-plane thermal transport, thus the anisotropic thermal conductivity of α -GaN. The results not only have implications for engineering the thermal performance of α -GaN, but also offer valuable insights on the role of anomalous phonon topology in thermal transport of other technically semiconductors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

The initial stages of ZnO atomic layer deposition on atomically flat In 0.53 Ga 0.47 As substrates

InGaAs is one of the III–V active semiconductors used in modern high-electron-mobility transistors or high-speed electronics. ZnO is a good candidate material to be inserted as a tunneling insulator layer at the metal–semiconductor junction. A key consideration in many modern devices is the atomic structure of the hetero-interface, which often ultimately governs the electronic or chemical process of interest. Here, a complementary suite of in situ synchrotron X-ray techniques (fluorescence, reflectivity and absorption) as well as modeling is used to investigate both structural and chemical evolution during the initial growth of ZnO by atomic layer deposition (ALD) on In 0.53 Ga 0.47 As substrates. Prior to steady-state growth behavior, we discover a transient regime characterized by two stages. First, substrate-inhibited ZnO growth takes place on InGaAs terraces. This leads eventually to the formation of a 1 nm-thick, two-dimensional (2D) amorphous layer. Second, the growth behavior and its modeling suggest the occurrence of dense island formation, with an aspect ratio and surface roughness that depends sensitively on the growth condition. Lastly, ZnO ALD on In 0.53 Ga 0.47 As is characterized by 2D steady-state growth with a linear growth rate of 0.21 nm cy -1 , as expected for layer-by-layer ZnO ALD.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Lewis acid–base pair doping of p-type organic semiconductors

Doping is required to increase the electrical conductivity of organic semiconductors for uses in electronic and energy conversion devices. The limited number of commonly used p-type dopants suggests that new dopants or doping mechanisms could improve the efficiency of doping and provide new means for processing doped polymers. Drawing on Lewis acid–base pair chemistry, we combined Lewis acid dopant B(C 6 F 5 ) 3 (BCF) with the weak Lewis base benzoyl peroxide (BPO). The detailed behavior of p-type doping of the model polymer poly(3-hexylthiophene) (P3HT) with this Lewis acid–base pair in solution was examined. Solution 19F-NMR spectra confirmed the formation of the expected counterion, as well as side products from reactions with solvent. BCF : BPO was also found to efficiently dope a range of semiconducting polymers with varying chemical structures demonstrating that the BCF : BPO combination has an effective electron affinity of at least 5.3 eV. In thin films of regioregular P3HT cast from the doped solutions, delocalized polarons formed due to the large counterions leading to a large polaron-counterion distance. At and above 0.2 eq. BCF : BPO doping, amorphous areas of the film became doped, disrupting the structural order of the films. Despite the change in structural order, thin films of regioregular P3HT doped with 0.2 eq. BCF : BPO had a conductivity of 25 S cm -1 . This study demonstrates the effectiveness of a two-component Lewis acid–base doping mechanism and suggests additional two-component Lewis acid–base chemistries should be explored.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Rapid spatial analysis of surrogate TRISO fuel particles using laser-induced breakdown spectroscopy image analysis

Laser-induced breakdown spectroscopy (LIBS) mapping enables rapid elemental and spatial analysis of solid samples. In this work, surrogate TRi-structural ISOtropic (TRISO) particles with various layers consisting of Zr, W, C, and Si were used to demonstrate the use of a new thickness measurement tool developed to analyze elemental images generated from LIBS maps. Zr particles with varying outer-layer thicknesses ranging from 16 to 32 μm were measured with scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS) and LIBS with both a complementary metal-oxide-semiconductor (CMOS) detector and an intensified charged coupled device (ICCD) detector. LIBS maps of particles were completed using CMOS and ICCD spectrometers with effective spatial resolutions of 4 and 2 μm, respectively. The novel thickness measurement tool identified layer regions within a LIBS map and then identified the locations of the boundaries between these layers. The tool then generated up to 1000 random profiles stemming radially from the center region, which were used to measure the layer thickness/radius. This image analysis tool demonstrated LIBS's ability to provide values comparable with SEM-EDS (3.7% relative difference) along with a 95% reduction in measurement time. Furthermore, the precision of these measurements was on par with the SEM-EDS measurements at <15% relative standard deviation. Following the analysis of the Zr particles, W particles with increased complexity (e.g., five versus three layers) were analyzed using both the CMOS and ICCD spectrometers simultaneously. The spatial dimensions were extracted with an average relative difference of 2.7% and an average relative standard deviation of 9%.

Andrews, Hunter B. [Oak Ridge National Laboratory ↗
DOE OSTI2015

Distinct photoresponse in graphene induced by laser irradiation

The graphene-based photodetector with tunable p-p{sup +}-p junctions was fabricated through a simple laser irradiation process. Distinct photoresponse was observed at the graphene (G)-laser irradiated graphene (LIG) junction by scanning photocurrent measurements, and its magnitude can be modulated as a result of a positive correlation between the photocurrent and doping concentration in LIG region. Detailed investigation suggests that the photo-thermoelectric effect, instead of the photovoltaic effect, dominates the photocurrent generation at the G-LIG junctions. Such a simple and low-cost technique offers an alternative way for the fabrication of graphene-based optoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The fundamental downscaling limit of field effect transistors

We predict that within next 15 years a fundamental down-scaling limit for CMOS technology and other Field-Effect Transistors (FETs) will be reached. Specifically, we show that at room temperatures all FETs, irrespective of their channel material, will start experiencing unacceptable level of thermally induced errors around 5-nm gate lengths. These findings were confirmed by performing quantum mechanical transport simulations for a variety of 6-, 5-, and 4-nm gate length Si devices, optimized to satisfy high-performance logic specifications by ITRS. Different channel materials and wafer/channel orientations have also been studied; it is found that altering channel-source-drain materials achieves only insignificant increase in switching energy, which overall cannot sufficiently delay the approaching downscaling limit. Alternative possibilities are discussed to continue the increase of logic element densities for room temperature operation below the said limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

In-situ NC-AFM measurements of high quality AlN(0001) layers grown at low growth rate on 4H-SiC(0001) and Si(111) substrates using ammonia molecular beam epitaxy

Nitride wide-band-gap semiconductors are used to make high power electronic devices or efficient light sources. The performance of GaN-based devices is directly linked to the initial AlN buffer layer. During the last twenty years of research on nitride growth, only few information on the AlN surface quality have been obtained, mainly by ex-situ characterization techniques. Thanks to a Non Contact Atomic Force Microscope (NC-AFM) connected under ultra high vacuum (UHV) to a dedicated molecular beam epitaxy (MBE) chamber, the surface of AlN(0001) thin films grown on Si(111) and 4H-SiC(0001) substrates has been characterized. These experiments give access to a quantitative determination of the density of screw and edge dislocations at the surface. The layers were also characterized by ex-situ SEM to observe the largest defects such as relaxation dislocations and hillocks. The influence of the growth parameters (substrate temperature, growth speed, III/V ratio) and of the initial substrate preparation on the dislocation density was also investigated. On Si(111), the large in-plane lattice mismatch with AlN(0001) (19%) induces a high dislocation density ranging from 6 to 12×10{sup 10}/cm{sup 2} depending on the growth conditions. On 4H-SiC(0001) (1% mismatch with AlN(0001)), the dislocation density decreases to less than 10{sup 10}/cm{sup 2}, but hillocks appear, depending on the initial SiC(0001) reconstruction. The use of a very low growth rate of 10 nm/h at the beginning of the growth process allows to decrease the dislocation density below 2 × 10{sup 9}/cm{sup 2}.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Magnetoresistance of galfenol-based magnetic tunnel junction

The manipulation of ferromagnetic layer magnetization via electrical pulse is driving an intense research due to the important applications that this result will have on memory devices and sensors. In this study we realized a magnetotunnel junction in which one layer is made of Galfenol (Fe{sub 1-x}Ga{sub x}) which possesses one of the highest magnetostrictive coefficient known. The multilayer stack has been grown by molecular beam epitaxy and e-beam evaporation. Optical lithography and physical etching have been combined to obtain 20x20 micron sized pillars. The obtained structures show tunneling conductivity across the junction and a tunnel magnetoresistance (TMR) effect of up to 11.5% in amplitude.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Impact of extended defects on recombination in CdTe heterostructures grown by molecular beam epitaxy

Heterostructures with CdTe and CdTe{sub 1-x}Se{sub x} (x ∼ 0.01) absorbers between two wider-band-gap Cd{sub 1-x}Mg{sub x}Te barriers (x ∼ 0.25–0.3) were grown by molecular beam epitaxy to study carrier generation and recombination in bulk materials with passivated interfaces. Using a combination of confocal photoluminescence (PL), time-resolved PL, and low-temperature PL emission spectroscopy, two extended defect types were identified and the impact of these defects on charge-carrier recombination was analyzed. The dominant defects identified by confocal PL were dislocations in samples grown on (211)B CdTe substrates and crystallographic twinning-related defects in samples on (100)-oriented InSb substrates. Low-temperature PL shows that twin-related defects have a zero-phonon energy of 1.460 eV and a Huang-Rhys factor of 1.50, while dislocation-dominated samples have a 1.473-eV zero-phonon energy and a Huang-Rhys factor of 1.22. The charge carrier diffusion length near both types of defects is ∼6 μm, suggesting that recombination is limited by diffusion dynamics. For heterostructures with a low concentration of extended defects, the bulk lifetime was determined to be 2.2 μs with an interface recombination velocity of 160 cm/s and an estimated radiative lifetime of 91 μs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Sub-band-gap absorption in Ga 2 O 3

β-Ga 2 O 3 is a transparent conducting oxide that, due to its large bandgap of 4.8 eV, exhibits transparency into the UV. However, the free carriers that enable the conductivity can absorb light. We study the effect of free carriers on the properties of Ga 2 O 3 using hybrid density functional theory. The presence of free carriers leads to sub-band-gap absorption and a Burstein-Moss shift in the onset of absorption. We find that for a concentration of 10 20 carriers, the Fermi level is located 0.23 eV above the conduction-band minimum. This leads to an increase in the electron effective mass from 0.27–0.28 m e to 0.35–0.37 me and a sub-band-gap absorption band with a peak value of 0.6 × 10 3 cm –1 at 3.37 eV for light polarized along the x or z direction. Both across-the-gap and free-carrier absorption depend strongly on the polarization of the incoming light. We also provide parametrizations of the conduction-band shape and the effective mass as a function of the Fermi level. β-Ga 2 O 3 exhibits very good electronic conductivity in spite of its bandgap of 4.8 eV; this large gap makes it transparent into the UV. This combination allows for applications in devices such as deep-UV blind detectors and contacts for solar cells. It also enables high-power devices, such as high-voltage metal-semiconductor field-effect transistors and Schottky barrier diodes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Vacancy complexes in Cd 3 As 2

Epitaxial growth of the three-dimensional topological semimetal Cd 3 As 2 on semiconductor substrates enables its use and integration in device applications. Epitaxy also provides an avenue for varying and controlling point defects through modification of the chemical potential during growth. In turn, knowledge of the point defects that are generated in Cd 3 As 2 epilayers will aid the interpretation of electron transport behavior and guide growth efforts to produce material with low defect densities. Point defects in Cd 3 As 2 epilayers grown by molecular beam epitaxy with varying As/Cd flux ratios are probed by positron annihilation spectroscopy. We find that lower As/Cd flux ratios produce higher concentrations of point defects. Remarkably, the measurements indicate that the average defect size is larger than a monovacancy. The data presented here contribute to an evolving picture of vacancy point defects in Cd 3 As 2 and can be used to direct future investigation of the defect-transport relationships in this emerging electronic material.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Nonvolatile memory cells from hafnium zirconium oxide ferroelectric tunnel junctions using Nb and NbN electrodes

Ferroelectric tunnel junctions (FTJs) utilizing hafnium zirconium oxide (HZO) have attracted interest as non-volatile memory for microelectronics due to ease of integration into back-end-of-line (BEOL) complementary metal oxide semiconductor fabrication. This work examines asymmetric electrode NbN/HZO/Nb devices with 7 nm thick HZO as FTJs in a memory structure, with an output resistance that can be controlled by read and write voltages. The individual FTJs are measured to have a tunneling electroresistance of 10 during the read state without significant filament conduction formation and reasonable ferroelectric performance. Endurance and remanent polarizations of up to 10 5 cycles and 20 μC/cm 2 , respectively, are measured and are shown to be dependent on the cycling voltage. Electrical measurements demonstrate how magnitude of the write pulse can modulate the high state resistance and the read pulse influences both resistance values as well as separation of resistance states. Then, by using two opposite switching FTJ devices in series, a programmable nonvolatile resistor divider is demonstrated. Measurements of these two FTJ unit memory cells show wide applicability to a BEOL microfabrication process for a re-readable, rewritable, and nonvolatile memory cell.

42 ENGINEERING↗
DOE OSTI2024

Electronic properties of corundum-like Ir 2 O 3 and Ir 2 O 3 -Ga 2 O 3 alloys

In the hexagonal, corundum-like structure, α-Ga 2 O 3 has a bandgap of ~5.1 eV, which, combined with its relatively small electron effective mass, high Baliga's figure of merit, and high breakdown field, makes it a promising candidate for power electronics. Ga 2 O 3 is easy to dope n-type, but impossible to dope p-type, impeding the realization of some electronic device designs. Developing a lattice-matched p-type material that forms a high-quality heterojunction with n-type Ga 2 O 3 would open new opportunities in electronics and perhaps optoelectronic devices. In this work, we studied Ir 2 O 3 as a candidate for that purpose. Using hybrid density functional theory calculations we predict the electronic band structure of α-Ir 2 O 3 and compare that to α-Ga 2 O 3 , and study the stability and electronic properties of α-(Ir x Ga 1–x ) 2 O 3 alloys. We discuss the band offset between the two materials and compare it with recently available experimental data. We find that the Ir d bands that compose the top of the valence band in α-Ir 2 O 3 are much higher in energy than O p bands in α-Ga 2 O 3 , possibly enabling effective p-type doping. Finally, our results provide an insight into using the Ir 2 O 3 or Ir 2 O 3 -Ga 2 O 3 alloys as p-type material lattice-matched to α-Ga 2 O 3 for the realization of p–n heterojunctions.

36 MATERIALS SCIENCE↗