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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Restorative effect of oxygen annealing on device performance in HfIZO thin-film transistors

Metal-oxide based thin-film transistors (oxide-TFTs) are very promising for use in next generation electronics such as transparent displays requiring high switching and driving performance. In this study, we demonstrate an optimized process to secure excellent device performance with a favorable shift of the threshold voltage toward 0V in amorphous hafnium-indium-zinc-oxide (a-HfIZO) TFTs by using post-treatment with oxygen annealing. This enhancement results from the improved interfacial characteristics between gate dielectric and semiconductor layers due to the reduction in the density of interfacial states related to oxygen vacancies afforded by oxygen annealing. The device statistics confirm the improvement in the device-to-device and run-to-run uniformity. We also report on the photo-induced stability in such oxide-TFTs against long-term UV irradiation, which is significant for transparent displays.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Pick-and-Place Transfer of Arbitrary-Metal Electrodes for van der Waals Device Fabrication

Van der Waals electrode integration is a promising strategy to create nearly perfect interfaces between metals and 2D materials, with advantages such as eliminating Fermi-level pinning and reducing contact resistance. However, the lack of a simple, generalizable pick-and-place transfer technology has greatly hampered the wide use of this technique. Here, we demonstrate the pick-and-place transfer of prefabricated electrodes from reusable polished hydrogenated diamond substrates without the use of any sacrificial layers due to the inherent low-energy and dangling-bond-free nature of the hydrogenated diamond surface. The technique enables transfer of arbitrary-metal electrodes and an electrode array, as demonstrated by successful transfer of eight different elemental metals with work functions ranging from 4.22 to 5.65 eV. We also demonstrate the electrode array transfer for large-scale device fabrication. The mechanical transfer of metal electrodes from diamond to van der Waals materials creates atomically smooth interfaces with no interstitial impurities or disorder, as observed with cross-section high-resolution transmission electron microscopy and energy-dispersive X-ray spectroscopy. As a demonstration of its device application, we use the diamond transfer technique to create metal contacts to monolayer transition metal dichalcogenide semiconductors with high-work-function Pd, low-work-function Ti, and semimetal Bi to create n- and p-type field-effect transistors with low Schottky barrier heights. We also extend this technology to air-sensitive materials (trilayer 1T’ WTe 2 ) and other applications such as ambipolar transistors, Schottky diodes, and optoelectronics. This highly reliable and reproducible technology paves the way for new device architectures and high-performance devices.

2D materials↗
DOE OSTI2026

Spatio-Kinetic Electronic Heterogeneity in MoS 2 Revealed by Ultrafast Electron Microscopy: Implications for Optoelectronics

There is broad interest in layered, two-dimensional (2D) semiconductors owing to their high optical absorption and ability to heterogeneously integrate with various substrates. In such layered semiconductors, mesoscopic imperfections, such as surface step edges, may affect charge carrier kinetics and device performance, but studying their effects on carrier transport with sufficient spatial and temporal resolution is a challenge. Using scanning ultrafast electron microscopy, we image the near-surface charge carrier kinetics with μm/ps spatiotemporal resolution in single-crystal MoS 2 samples with surface steps tens of nanometers in height. We find an approximately 3-fold increase in surface trap density near such surface steps compared to the uniform, flat surface regions. Despite the difference in trap state density, filling of the traps occurs over the same time scale (∼100 ps), but carrier recovery is much slower near the step compared to the uniform regions of the material. Furthermore, these results provide an approach to measure ultrafast dynamics and determine the required uniformity of layered materials depending on the speed limit constraints for specific applications.

SEM↗
DOE OSTI2019

Transport of hot carriers in plasmonic nanostructures

Plasmonic hot carrier devices extract excited carriers from metal nanostructures before equilibration and have the potential to surpass semiconductor light absorbers. However their efficiencies have so far remained well below theoretical limits, which necessitates quantitative prediction of carrier transport and energy loss in plasmonic structures to identify and overcome bottlenecks in carrier harvesting. Here, we present a theoretical and computational framework, nonequilibrium scattering in space and energy (NESSE), to predict the spatial evolution of carrier energy distributions that combines the best features of phase-space (Boltzmann) and particle-based (Monte Carlo) methods. Within the NESSE framework, we bridge first-principles electronic structure predictions of plasmon decay and carrier collision integrals at the atomic scale, with electromagnetic field simulations at the nano- to mesoscale. Finally, we apply NESSE to predict spatially-resolved energy distributions of photoexcited carriers that impact the surface of experimentally realizable plasmonic nanostructures at length scales ranging from tens to several hundreds of nanometers, enabling first-principles design of hot carrier devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Shape-Controlled Narrow-Gap SnTe Nanostructures: From Nanocubes to Nanorods and Nanowires

The rational design and synthesis of narrow-gap colloidal semiconductor nanocrystals (NCs) is an important step toward the next generation of solution-processable photovoltaics, photodetectors, and thermoelectric devices. SnTe NCs are particularly attractive as a Pb-free alternative to NCs of narrow-gap lead chalcogenides. Previous synthetic efforts on SnTe NCs have focused on spherical nanoparticles. Here we report new strategies for synthesis of SnTe NCs with shapes tunable from highly monodisperse nanocubes, to nanorods (NRs) with variable aspect ratios, and finally to long, straight nanowires (NWs). Reaction at high temperature quickly forms thermodynamically favored nanocubes, but low temperatures lead to elongated particles. Transmission electron microscopy studies of reaction products at various stages of the synthesis reveal that the growth and shape-focusing of monodisperse SnTe nanocubes likely involves interparticle ripening, while directional growth of NRs and NWs may be initiated by particle dimerization via oriented attachment.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Development of an in situ temperature stage for synchrotron X-ray spectromicroscopy

In situ characterization of micro- and nanoscale defects in polycrystalline thin-film materials is required to elucidate the physics governing defect formation and evolution during photovoltaic device fabrication and operation. X-ray fluorescence spectromicroscopy is particularly well-suited to study defects in compound semiconductors, as it has a large information depth appropriate to study thick and complex materials, is sensitive to trace amounts of atomic species, and provides quantitative elemental information, non-destructively. Current in situ methods using this technique typically require extensive sample preparation. In this work, we design and build an in situ temperature stage to study defect kinetics in thin-film solar cells under actual processing conditions, requiring minimal sample preparation. Careful selection of construction materials also enables controlled non-oxidizing atmospheres inside the sample chamber such as H 2 Se and H 2 S. Temperature ramp rates of up to 300 °C/min are achieved, with a maximum sample temperature of 600 °C. As a case study, we use the stage for synchrotron X-ray fluorescence spectromicroscopy of CuIn x Ga 1–x Se 2 (CIGS) thin-films and demonstrate predictable sample thermal drift for temperatures 25–400°C, allowing features on the order of the resolution of the measurement technique (125 nm) to be tracked while heating. As a result, the stage enables previously unattainable in situ studies of nanoscale defect kinetics under industrially relevant processing conditions, allowing a deeper understanding of the relationship between material processing parameters, materials properties, and device performance.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Defect Chemistry and Doping of Ultrawide Band Gap (III)BO 3 Compounds

New wide band gap semiconductors are needed to increase the power, voltage, and switching frequency limits of power electronic devices. A recent computational search identified a family of ultrawide band gap (4.8-7.8 eV) group-III orthoborates as promising materials for power electronics, assuming n-type doping could be attained. In this report we test this assumption by investigating the defect chemistry and dopability of rhombohedral calcite-structured AlBO 3 , GaBO 3 , and InBO 3 using first-principles calculations. Of the three, we find InBO 3 to have the most potential for n-type doping without significant compensation by native acceptor defects. Furthermore, Zr is predicted to readily substitute for In and behave as a shallow donor with maximal net donor concentrations exceeding 1 x 10 18 cm -3 under growth conditions typical for this class of materials. We also demonstrate thin film growth of InBO3 and measure its absorption onset, which we find to be consistent with theory. Ultimately, our results confirm the promise of InBO 3 as an n-type ultrawide band gap semiconductor and point to alloying with GaBO 3 and AlBO 3 for further optimization of band gap and electron concentration for high-power applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Reconfigurable quadruple quantum dots in a silicon nanowire transistor

We present a reconfigurable metal-oxide-semiconductor multi-gate transistor that can host a quadruple quantum dot in silicon. The device consists of an industrial quadruple-gate silicon nanowire field-effect transistor. Exploiting the corner effect, we study the versatility of the structure in the single quantum dot and the serial double quantum dot regimes and extract the relevant capacitance parameters. We address the fabrication variability of the quadruple-gate approach which, paired with improved silicon fabrication techniques, makes the corner state quantum dot approach a promising candidate for a scalable quantum information architecture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Insight into the epitaxial growth of high optical quality GaAs{sub 1–x}Bi{sub x}

The ternary alloy GaAs{sub 1–x}Bi{sub x} is a potentially important material for infrared light emitting devices, but its use has been limited by poor optical quality. We report on the synthesis of GaAs{sub 1–x}Bi{sub x} epi-layers that exhibit narrow, band edge photoluminescence similar to other ternary GaAs based alloys, e.g., In{sub y}Ga{sub 1–y}As. The measured spectral linewidths are as low as 14 meV and 37 meV at low temperature (6 K) and room temperature, respectively, and are less than half of previously reported values. The improved optical quality is attributed to the use of incident UV irradiation of the epitaxial surface and the presence of a partial surface coverage of bismuth in a surfactant layer during epitaxy. Comparisons of samples grown under illuminated and dark conditions provide insight into possible surface processes that may be altered by the incident UV light. The improved optical quality now opens up possibilities for the practical use of GaAs{sub 1–x}Bi{sub x} in optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

All-Carbon Nanotube Solar Cell Devices Mimic Photosynthesis

We report that both solar cells and photosynthetic systems employ a two-step process of light absorption and energy conversion. In photosynthesis, they are performed by distinct proteins. However, conventional solar cells use the same semiconductor for optical absorption and electron-hole separation, leading to inefficiencies. Here, we show that an all-semiconducting single-walled carbon nanotube (s-SWCNTs) device provides an artificial system that models photosynthesis in a tandem geometry. We use distinct chirality s-SWCNTs to separate the site and direction of light absorption from those of power generation. Using different bandgap s-SWCNTs, we implement an energy funnel in dual-gated p-n diodes. The device captures photons from multiple regions of the solar spectrum and funnels photogenerated excitons to the smallest bandgap s-SWCNT layer, where they become free carriers. We demonstrate an increase in the photoresponse by adding more s-SWCNT layers of different bandgaps without a corresponding deleterious increase in the dark leakage current.

14 SOLAR ENERGY↗
DOE OSTI2013

Tomographic investigation of fermi level pinning at focused ion beam milled semiconductor surfaces

Electron holography in the transmission electron microscope (TEM) offers the spatial and signal resolution for studying effects like Fermi level pinning or dopant concentration variations important for the design of modern electronic devices. To overcome the loss of information along the projection direction, surface effects, and surface damage due to TEM specimen preparation, we apply electron holographic tomography to analyze the 3D potential distribution of semiconductor samples prepared by focused-ion-beam. We observe mid-band gap pinning of the Fermi level at Si surfaces but valence band pinning at Ge surfaces. The pinning extends over tens of nanometers into the bulk.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A fast and large bandwidth superconducting variable coupler

Variable microwave-frequency couplers are highly useful components in classical communication systems and likely will play an important role in quantum communication applications. Conventional semiconductor-based microwave couplers have been used with superconducting quantum circuits, enabling, for example, the in situ measurements of multiple devices via a common readout chain. However, the semiconducting elements are lossy and furthermore dissipate energy when switched, making them unsuitable for cryogenic applications requiring rapid, repeated switching. Superconducting Josephson junction-based couplers can be designed for dissipation-free operation with fast switching and are easily integrated with superconducting quantum circuits. These enable on-chip, quantum-coherent routing of microwave photons, providing an appealing alternative to semiconductor switches. Here, we present and characterize a chip-based broadband microwave variable coupler, tunable over 4-8GHz with over 1.5GHz instantaneous bandwidth, based on the superconducting quantum interference device with two parallel Josephson junctions. The coupler is dissipation-free and features large on-off ratios in excess of 40dB, and the coupling can be changed in about 10ns. The simple design presented here can be readily integrated with superconducting qubit circuits and can be easily generalized to realize a four- or more port device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Charge transfer properties of diphenyl substituted cyclopentadithiophene organic semiconductors: The role of fluorine and malononitrile substitutions and crystal ordering

The geometry and electronic structures of four cyclopentadithiophene (CPD) derivatives in their crystals are systematically studied through density functional theory (DFT) calculations. The factors influencing the CPDs' semiconductor nature and charge carrier mobility are analyzed in detail, revealing the different roles of fluorine and dicyanomethylene in the CPDs examined in this study. Malononitrile substitutions show a large effect in lowering the molecular LUMO energy level but induce a smaller charge transfer integral due to the resulting reduced crystal order caused by the resulting steric hindrance. In comparison, although F substitution lowers the LUMO level more weakly than C(CN) 2 substitution, it allows the molecule to retain a more planar configuration with more orbital delocalization, and the crystals of the F substituted compounds are more ordered than those of the C(CN) 2 substituted compounds. Overall, this comparison can explain why F substitution is a more effective method to cause a transition of a p-type semiconductor to n-type. Crystal ordering plays a significant role in determining the charge transfer mobility in devices. In spite of the advantage offered by dicyanomethylene substitution in terms of charge injection barrier compared to fluorine substitution, the reduced crystal order caused by C(CN) 2 limits the charge transfer in CPDs with C(CN) 2 substitution. The validity of these findings can be generalized, which is expected to contribute to the rational design of n-type semiconductors based on CPDs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Interactions of gas molecules with monolayer MoSe{sub 2}: A first principle study

We present a first principle study of interaction of toxic gas molecules (NO, NO{sub 2} and SO{sub 2}) with monolayer MoSe{sub 2}. The predicted order of sensitivity of gas molecule is NO{sub 2} > SO{sub 2} > NO. Adsorbed molecules strongly influence the electronic behaviour of monolayer MoSe{sub 2} by inducing impurity levels in the vicinity of Fermi energy. NO and SO{sub 2} is found to induce p-type doping effect while semiconductor to metallic transitions occur on NO{sub 2} adsorption. Our findings may guide the experimentalist for fabricating sensor devices based on MoSe{sub 2} monolayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Design of photovoltaics for modules with 50% efficiency

Abstract We describe a spectrum splitting solar module design approach using ensembles of 2–20 subcells with bandgaps optimized for the AM 1.5D spectrum. Device physics calculations and experimental data determine radiative efficiency parameters for III ‐V compound semiconductor subcells and enable modification of conventional detailed balance calculations to predict module efficiency while retaining computational speed for a wide search of the design space. Accounting for nonideal absorption and recombination rates due to realistic material imperfections allows us to identify the minimum subcell quantity, quality, electrical connection configuration, and concentration required for 50% module efficiency with realistic optical losses and modeled contact resistance losses. We predict a module efficiency of 50% or greater will be possible with 7–10 electrically independent subcells in a spectral splitting optic at 300–500 suns concentration, assuming a 90% optical efficiency and 98% electrical efficiency, provided the subcells can achieve an average external radiative efficiency of 3–5% and a short circuit current that is at least 90% of the ideal. In examining spectrum splitting solar cells with both series‐connected and electrically independent subcells, we identify a new design trade‐off independent of the challenges of fabricating optimal bandgap combinations. Series‐connected ensembles, having a single set of electrical contacts, are less sensitive to lumped series resistance losses than ensembles where each subcells are contacted independently. By contrast, ensembles with electrically independent subcells can achieve lower radiative losses when the subcells are designed for good optical confinement. Distributing electrically independent subcells in a concentrating receiver module allows flexibility in subcell selection and fabrication, and can achieve ultra‐high efficiency with conventional III ‐V cell technology.

Warmann, Emily C.↗
DOE OSTI2020

High yield production of ultrathin fibroid semiconducting nanowire of Ta 2 Pd 3 Se 8

Immediately after the demonstration of the high-quality electronic properties in various two dimensional (2D) van der Waals (vdW) crystals fabricated with mechanical exfoliation, many methods have been reported to explore and control large scale fabrications. Comparing with recent advancements in fabricating 2D atomic layered crystals, large scale production of one dimensional (1D) nanowires with thickness approaching molecular or atomic level still remains stagnant. Here, we demonstrate the high yield production of a 1D vdW material, semiconducting Ta 2 Pd 3 Se 8 nanowires, by means of liquid-phase exfoliation. The thinnest nanowire we have readily achieved is around 1 nm, corresponding to a bundle of one or two molecular ribbons. Transmission electron microscopy (TEM) and transport measurements reveal the as-fabricated Ta 2 Pd 3 Se 8 nanowires exhibit unexpected high crystallinity and chemical stability. Our low-frequency Raman spectroscopy reveals clear evidence of the existing of weak inter-ribbon bindings. The fabricated nanowire transistors exhibit high switching performance and promising applications for photodetectors.

1D semiconductor↗
DOE OSTI2024

A-Site Cation Chemistry in Halide Perovskites

Metal halide perovskites are an important class of semiconductors now being implemented as photovoltaic absorbers and explored for light emission, among other device applications. The semiconducting properties of halide perovskites are deeply intertwined with their composition and structure. Specifically the symmetry, tilting, and distortions of the metal halide octahedra impact the band structure and other optoelectronic properties. In this review, we examine the various compositions of monovalent A-site cations in threedimensional (3D) halide perovskites AMX 3 (M = divalent metal; X = halide). We focus on how the A-site cation templates the inorganic metal-halide perovskite framework, resulting in changes in the crystal structure symmetry, as well as M–X bonding parameters, summarized in a comprehensive table of AMX 3 structures. The A-site cation motion, effects of alloying, and 2D Ruddlesden–Popper perovskite structures with unique A-site cations are further overviewed. Correlations are shown between these A-site cation dominated structural parameters and the resulting optoelectronic properties such as band gap. This review should serve as a reference for the A-site cation structural chemistry of metal halide perovskites and inspire continued research into less explored metal halide perovskite compositions and structures.

14 SOLAR ENERGY↗