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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Final Report: Vapor Transport Deposition for Thin Film III-V Photovoltaics

Silicon, the dominant photovoltaic (PV) technology, is reaching its fundamental performance limits as a single absorber/junction technology. Higher efficiency devices are needed to reduce cost further because the balance of systems account for about two-thirds of the overall cost of the solar electricity. III-V semiconductors such as GaAs are used to make the highest-efficiency photovoltaic devices, but the costs of manufacture are much too high for non-concentrated terrestrial applications. The cost of III-V’s is driven by two factors: (1) metal-organic chemical vapor deposition (MOCVD), the dominant growth technology, employs expensive, toxic and pyrophoric gas-phase precursors, and (2) the growth substrates conventionally required for high-performance devices are monocrystalline III-V wafers. The primary goal of this project was to show that close-spaced vapor transport (CSVT), using water vapor as a transport agent, is a scalable deposition technology for growing low-cost epitaxial III-V photovoltaic devices. The secondary goal was to integrate those devices on Si substrates for high-efficiency tandem applications using interface nanopatterning to address the lattice mismatch. In the first task, we developed a CSVT process that used only safe solid-source powder precursors to grow epitaxial GaAs with controlled n and p doping and mobilities/lifetimes similar to that obtainable via MOCVD. Using photoelectrochemical characterization, we showed that the best material had near unity internal quantum efficiency for carrier collection and minority carrier diffusions lengths in of ~ 8 μm, suitable for PV devices with >25% efficiency. In the second task we developed the first pn junction photovoltaics using CSVT and showed unpassivated structures with open circuit photovoltages > 915 mV and internal quantum efficiencies >0.9. We also characterized morphological and electrical defects and identified routes to reduce those defects. In task three we grew epitaxial ternary GaAsxP 1-x and In 0.5 Ga 0.5 P alloys, with composition set by the ratio of GaAs/GaP or InP/GaP mixed as the source powder. GaAs 0.3 P 0.7 has the appropriate bandgap to serve as a top cell on Si and In 0.5 Ga 0.5 P is near the composition used as a surface passivation layer on GaAs pn junction photovoltaics. In the final task we demonstrated III-V selective area epitaxy using CSVT as a first step toward the growth of III-V micro- or nanostructures for an integrated tandem solar cell on Si. We also found that direct epitaxial growth on Si appears to be impossible in the current H 2 O-CSVT reactor design, likely due to the formation of SiO x . This work sets the stage for targeted development of an improved CSVT process and for the scale up of the proof-of-concept work from a research to manufacturing-relevant platform. Replacing H 2 O as a transport agent with HCl would provide the ability to deposit directly on Si by avoiding oxide formation and to allow for the deposition of Al-containing alloys that would otherwise oxidize. Improved engineering design and implementation of an in-line multi-station CSVT would allow for direct deposition of device structures in a single system.

14 SOLAR ENERGY↗
DOE OSTI2014

A hybrid magnetic/complementary metal oxide semiconductor three-context memory bit cell for non-volatile circuit design

After decades of continued scaling to the beat of Moore's law, it now appears that conventional silicon based devices are approaching their physical limits. In today's deep-submicron nodes, a number of short-channel and quantum effects are emerging that affect the manufacturing process, as well as, the functionality of the microelectronic systems-on-chip. Spintronics devices that exploit both the intrinsic spin of the electron and its associated magnetic moment, in addition to its fundamental electronic charge, are promising solutions to circumvent these scaling threats. Being compatible with the CMOS technology, such devices offer a promising synergy of radiation immunity, infinite endurance, non-volatility, increased density, etc. In this paper, we present a hybrid (magnetic/CMOS) cell that is able to store and process data both electrically and magnetically. The cell is based on perpendicular spin-transfer torque magnetic tunnel junctions (STT-MTJs) and is suitable for use in magnetic random access memories and reprogrammable computing (non-volatile registers, processor cache memories, magnetic field-programmable gate arrays, etc). To demonstrate the potential our hybrid cell, we physically implemented a small hybrid memory block using 45 nm × 45 nm round MTJs for the magnetic part and 28 nm fully depleted silicon on insulator (FD-SOI) technology for the CMOS part. We also report the cells measured performances in terms of area, robustness, read/write speed and energy consumption.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Self‐Trapped Hole Migration and Defect‐Mediated Thermal Quenching of Luminescence in α‐ and β‐Ga 2 O 3

Gallium oxide (Ga 2 O 3 ) is a promising ultrawide bandgap semiconductor for next-generation power electronics and optoelectronic devices. Here, temperature-dependent and polarization-resolved photoluminescence excitation spectroscopy data, complemented by hybrid-functional first-principles calculations, are presented, and a microscopic model is derived that explains the interplay of hole migration, defect trapping, and carrier recombination at defects underlying thermal quenching phenomena in α- and β-Ga 2 O 3 . In α-Ga 2 O 3 , the UV emission is attributed to self-trapped holes, while the blue luminescence arises from defect-related processes, including gallium split vacancies and their defect complexes. Calculations reveal an energy barrier of 88 meV for self-trapped hole migration in α-Ga 2 O 3 , consistent with activation energies from temperature-dependent photoluminescence. This enables efficient trapping by defects, enhancing blue luminescence and quenching UV emission. In β-Ga 2 O 3 , a higher migration barrier of 0.36 eV reduces the defect trapping, allowing the UV self-trapped hole emission to remain intense, with blue luminescence emerging only at elevated temperatures. These results establish a direct link between self-trapped hole migration, defect trapping, and thermal quenching of emission in both phases. The insights advance the understanding of carrier dynamics in ultrawide bandgap oxides and may guide defect engineering for high-performance functional devices.

Hajizadeh, Nima [Leibniz-Institut im Forschungsver↗
DOE OSTI2021

Operando Study of Thermal Oxidation of Monolayer MoS 2

Abstract Monolayer MoS 2 is a promising semiconductor to overcome the physical dimension limits of microelectronic devices. Understanding the thermochemical stability of MoS 2 is essential since these devices generate heat and are susceptible to oxidative environments. Herein, the promoting effect of molybdenum oxides (MoO x ) particles on the thermal oxidation of MoS 2 monolayers is shown by employing operando X‐ray absorption spectroscopy, ex situ scanning electron microscopy and X‐ray photoelectron spectroscopy. The study demonstrates that chemical vapor deposition‐grown MoS 2 monolayers contain intrinsic MoO x and are quickly oxidized at 100 °C (3 vol% O 2 /He), in contrast to previously reported oxidation thresholds (e.g., 250 °C, t ≤ 1 h in the air). Otherwise, removing MoO x increases the thermal oxidation onset temperature of monolayer MoS 2 to 300 °C. These results indicate that MoO x promote oxidation. An oxide‐free lattice is critical to the long‐term stability of monolayer MoS 2 in state‐of‐the‐art 2D electronic, optical, and catalytic applications.

2-dimensional material↗
DOE OSTI2023

Pulsed Laser Annealed Ga Hyperdoped Poly‐Si / SiO x Passivating Contacts for High‐Efficiency Monocrystalline Si Solar Cells

Polycrystalline Si ( poly ‐Si)‐based passivating contacts are promising candidates for high‐efficiency crystalline Si solar cells. We show that nanosecond‐scale pulsed laser melting (PLM) is an industrially viable technique to fabricate such contacts with precisely controlled dopant concentration profiles that exceed the solid solubility limit. We demonstrate that conventionally doped, hole‐selective poly ‐Si/SiO x contacts that provide poor surface passivation of c ‐Si can be replaced with Ga‐ or B‐doped contacts based on non‐equilibrium doping. We overcome the solid solubility limit for both dopants in poly ‐Si by rapid cooling and recrystallization over a timescale of ∼25 ns. We show an active Ga dopant concentration of ∼3 × 10 20 cm −3 in poly ‐Si which is six times higher than its solubility limit in c ‐Si, and a B dopant concentration as high as ∼10 21 cm −3 . We measure an implied open‐circuit voltage of 735 mV for Ga‐doped poly ‐Si/SiO x contacts on Czochralski Si with a low contact resistivity of 35.5 ± 2.4 mΩ cm 2 . Scanning spreading resistance microscopy and Kelvin probe force microscopy show large diffusion and drift current in the p ‐ n junction that contributes to the low contact resistivity. Our results suggest that PLM can be extended for hyperdoping of other semiconductors with low solubility atoms to enable high‐efficiency devices.

14 SOLAR ENERGY↗
DOE OSTI2018

Hoberman-sphere-inspired lattice metamaterials with tunable negative thermal expansion

Materials with engineered thermal expansion coefficients, capable of avoiding failure or irreversible destruction of structures and devices, are important for aerospace, civil, biomedical, optics, and semiconductor applications. In natural materials, thermal expansion usually cannot be adjusted easily and a negative thermal expansion coefficient is still uncommon. Here we propose a novel architected lattice bi-material system, inspired by the Hoberman sphere, showing a wide range of tunable thermal expansion coefficient from negative to positive, -1.04 x 10 -3 degrees C-1 to 1.0 x 10 -5 degrees C-1. Numerical simulations and analytical formulations are implemented to quantify the evolution of the thermal expansion coefficients and reveal the underlying mechanisms responsible for this unusual behavior. We show that the thermal expansion coefficient of the proposed metamaterials depends on the thermal expansion coefficient ratio and the axial stiffness ratio of the constituent materials, as well as the bending stiffness and the topological arrangement of the constitutive elements. The finding reported here provides a new routine to design architected metamaterial systems with tunable negative thermal expansion for a wide range of potential applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Nonvolatile electrochemical memory at 600°C enabled by composition phase separation

Silicon-based microelectronics are limited to ~150°C and therefore not suitable for the extremely high temperatures in aerospace, energy, and space applications. While wide-band-gap semiconductors can provide high-temperature logic, nonvolatile memory devices at high temperatures have been challenging. In this work, we develop a nonvolatile electrochemical memory cell that stores and retains analog and digital information at temperatures as high as 600°C. Through correlative scanning transmission electron microscopy, we show that this high-temperature information retention is a result of composition phase separation between the oxidized and reduced forms of amorphous tantalum oxide. This result demonstrates a memory concept that is resilient at extreme temperatures and reveals phase separation as the principal mechanism that enables nonvolatile information storage in these electrochemical memory cells.

42 ENGINEERING↗
DOE OSTI2018

A Versatile Thin-Film Deposition Method for Multidimensional Semiconducting Bismuth Halides

Despite the significant progress in fabricating hybrid organic-inorganic lead halide perovskite solar cells, their toxicity and low stability remain as major drawbacks, thereby hindering large-scale commercialization. Given the isoelectronic nature of lead(II) and bismuth(III) ions, potentially stable and non-toxic alternatives for efficient light absorption in thin-film photovoltaic (PV) devices may be found among bismuth-based halide semiconductors. However, high-quality polycrystalline films of many of these systems have not been demonstrated. In this work, we present a versatile and facile two-step co-evaporation approach to fabricate A 3 Bi 2 I 9 (A = Cs, Rb) and AgBi 2 I 7 polycrystalline films with smooth, pin-hole-free morphology and average grain size of > 200 nm. The process involves an initial two-source evaporation step (involving CsI, RbI or AgI, and BiI 3 sources), followed by an annealing step under BiI3 vapor. The structural, optical and electrical characteristics of the resulting thin films are studied by X-ray diffraction, optical spectroscopy, X-ray/UV photoelectron spectroscopy and scanning electron microscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Lateral Standing of the Pentacene Derivative 5,6,7-Trithiapentacene-13-one on Gold: A Combined STM, DFT, and NC-AFM Study

In this paper, high resolution scanning tunneling microscopy investigation of the pentacene derivative, 5,6,7-trithiapentacene-13-one (TTPO), on close-packed gold surfaces reveals nanoscale structures ranging from molecular chains at low coverage to highly ordered self-assembled molecular monolayers. Robust, thermally stable, and highly inert to photo-oxidation, TTPO is a promising organic semiconductor with potential applications in high-temperature photovoltaic devices. When adsorbed on a gold electrode, experiment and first-principle computation reveal a novel 3-D angular assembly of the TTPO molecules, with the long axis of the molecule parallel to the gold surface, distinctive from previously observed pentacene and pentacene derivative assemblies. Structures assembled are angularly dependent on TTPO molecular interactions while commensurate with the underlying gold substrate, allowing for potential tailoring of π-molecular orbital overlap through tilt-angle control. Finally, rigorous noncontact atomic force microscopy analysis was used to experimentally determine the molecular tilt of the molecule at 5 K, consistent with the calculated and observed structures at room temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

High Dielectric Constant Semiconducting Poly(3-alkylthiophene)s from Side Chain Modification with Polar Sulfinyl and Sulfonyl Groups

In this paper, there is growing interest in designing and developing high dielectric constant (ε r ) organic semiconductors because they have the potential to further enhance device performance by promoting exciton dissociation, reducing bimolecular charge carrier recombination, and potentially enhancing charge carrier mobility via charge screening. In this study, a new class of semiconducting polymers with high ε r , i.e., sulfinylated and sulfonylated poly(3-alkylthiophene)s (P3ATs), were synthesized. Because of efficient rotation of highly polar methylsulfinyl and methylsulfonyl side groups (i.e., orientational polarization), high ε r values were achieved for these functionalized P3ATs based on an accurate capacitance measurement using a gold/semiconducting polymer/SiO 2 /n-doped Si configuration. For example, the ε r at megahertz and room temperature increased from 3.75 for the regioregular poly(3-hexylthiophene) (P3HT) to 7.4 for the sulfinylated and 8.1–9.3 for sulfonylated P3AT polymers. These values are among the highest ε r reported for conjugated polymers so far. Grazing-incident wide-angle X-ray diffraction results showed that these polar groups decreased the crystallinity for the polythiophene backbones and interfered with the π–π stacking in the crystalline structure. Consequently, their optical properties, including UV–vis absorption and fluorescence, changed in thin films. From this study, the sulfinylated polymer may be promising to provide a balance between high ε r and preserving favorable polythiophene π–π stacking structure for device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Phonon-Mediated Quasiparticle Lifetime Renormalizations in Few-Layer Hexagonal Boron Nitride

Understanding the collective behavior of the quasiparticles in solid-state systems underpins the field of non-volatile electronics, including the opportunity to control many-body effects for well-desired physical phenomena and their applications. Hexagonal boron nitride (hBN) is a wide energy bandgap semiconductor, showing immense potential as a platform for lowdimensional device heterostructures. It is an inert dielectric used for gated devices, having a negligible orbital hybridization when placed in contact with other systems. Despite its inertness, we discover a large electron mass enhancement in few-layer hBN affecting the lifetime of the π-band states. We show that the renormalization is phonon-mediated and consistent with both single- and multiple-phonon scattering events. Our findings thus unveil a so-far unknown many-body state in a wide-bandgap insulator, having important implications for devices using hBN as one of their building blocks.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Ultrafast Spontaneous Emission from a Slot-Antenna Coupled WSe 2 Monolayer

Optical antennas can enhance the spontaneous emission rate from nanoemitters by orders of magnitude, enabling the possibility of an ultrafast, efficient, nanoscale LED. Semiconductors would be the preferred material for such a device to allow for direct high-speed modulation. However, efficient nanoscale devices are challenging to implement because of high surface recombination typical of most III-V materials. Monolayer transition metal dichalcogenides are an attractive alternative to a III-V emitter due to their intrinsically nanoscale dimensions, direct bandgap, and near-ideal surfaces resulting in high intrinsic quantum yield. In this work, we couple a nanostrip (30 nm × 250 nm) monolayer of WSe 2 to a cavity-backed optical slot antenna through a self-aligned fabrication process. Photoluminescence, scattering, and lifetime measurements are used to estimate a radiative spontaneous emission rate enhancement of 318× from WSe 2 monolayers coupled to on-resonance antennas. Finally, such a huge increase in the spontaneous emission rate results in an ultrafast radiative recombination rate and a quantum yield in nanopatterned monolayers comparable to unprocessed exfoliated flakes of WSe 2 .

2D materials↗
DOE OSTI2018

Direct observation of a two-dimensional hole gas at oxide interfaces

The discovery of a two-dimensional electron gas (2DEG) at the LaAlO 3 /SrTiO 3 interface has resulted in the observation of many properties not present in conventional semiconductor heterostructures, and so become a focal point for device applications. Its counterpart, the two-dimensional hole gas (2DHG), is expected to complement the 2DEG. However, although the 2DEG has been widely observed, the 2DHG has proved elusive. Here in this paper we demonstrate a highly mobile 2DHG in epitaxially grown SrTiO 3 /LaAlO 3 /SrTiO 3 heterostructures. Using electrical transport measurements and in-line electron holography, we provide direct evidence of a 2DHG that coexists with a 2DEG at complementary heterointerfaces in the same structure. First-principles calculations, coherent Bragg rod analysis and depth-resolved cathodoluminescence spectroscopy consistently support our finding that to eliminate ionic point defects is key to realizing a 2DHG. Lastly, the coexistence of a 2DEG and a 2DHG in a single oxide heterostructure provides a platform for the exciting physics of confined electron-hole systems and for developing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Power conversion in SnS photocathodes made by electrochemical growth is limited by recombination at (002) buried facets

Herzenbergite α-SnS is a promising p-type semiconductor for photovoltaic and solar fuel applications, but current devices are plagued by substantial photovoltage losses. Here we use vibrating Kelvin probe surface photovoltage for the first time to study the recombination losses in microcrystalline SnS photoelectrodes. α-SnS films of varied crystal orientation, size, and shape are obtained by electrochemical growth from aqueous tin( II ) chloride and sodium thiosulfate solutions near room temperature. After application of a CdS passivation layer, the films function as photocathodes for the methylviologen reduction reaction. Photoelectrochemical and surface photovoltage measurements reveal that the performance of these devices is sensitively controlled by mainly the SnS crystal orientation and to a lesser extent by the grain size. For example, the highest charge recombination rates of 8.97 × 10 14 s −1 cm −2 and lowest photocurrent (0.73 mA cm −2 ) and lowest photovoltage (0.12 V) occur for SnS films containing 500 nm crystals with irregular shapes and SnS lattices tilted away from the (001) orientation. On the other hand, the best performance (1.62 mA cm −2 , 0.16 V, 3.32 × 10 12 s −1 cm −2 ) is seen for 1100 nm fully (001) oriented SnS nanoplates. Furthermore, these findings agree with improved charge carrier mobility in the 001 direction and they also show that charge recombination in SnS films occurs mainly at dangling Sn–S bonds at buried (002) facets. Such buried interfaces need to be suppressed for optimized solar energy conversion with SnS.

Najaf, Zainab [University of California, Davis, CA↗
DOE OSTI2014

Fabrication of CuAl{sub 1−x}M{sub x}O{sub 2} (M = Fe, Cr)/Ni film delafossite compounds using spin coating and their microstructure and dielectric constant

The discovery of delafossite compound has encouraged more rapid technological developments particularly in transparent electronic devices. Copper oxide-based transparent thin films delafossite semiconductor recently give much attention in the field of optoelectronic technology, after the discovery of p-type CuAlO{sub 2}. The potential applications of a p-type semiconductor transparent conductive oxides (TCO) have been applied in broad field of optoelectronics. To explore a broad physical properties interms of magnetic conducting subtitution is understudied. In this work we report the fabrication of delafossite film on Ni substrate and their characterization of CuAl{sub 1−x}M{sub x}O{sub 2} delafossite compounds doped with Cr{sup 3+} and Fe{sup 3+} from the raw material of Cu(NO{sub 3}){sub 2}@@‡3H{sub 2}O, Al(NO{sub 3}){sub 3}@@‡9H{sub 2}O, Fe(NO{sub 3}){sub 3}@@‡9H{sub 2}O and Cr(NO{sub 3}){sub 3}@@‡9H{sub 2}O. The films were prepared using spin coating through a sol-gel technique at various concentrations of x = 0, 0.03, 0.04, and 0.05 for chromium and x = 0, 0.02, 0.04, 0.06, and 0.08 for iron doped. Crystal and microstructure were characterized by means of Cu-Kα Bragg-Brentano X-RD followed by High Score Plus and SEM-EDAX. The dielectric constants of the films were characterized using LCR meter. It was found that the CuAl{sub 1−x}M{sub x}O{sub 2}/Ni delafossite films were successfully fabricated. The CuAl{sub 1−x}Fe{sub x}O{sub 2} compound crystallized with lattice parameters of a = b ranged from 2.8603 Å to 2.8675 Å and c ranged from 16.9576 to 17.0763 Å. The increase of the dopant give rise to the increase of the lattice parameters. Since iron has bigger ionic radius (69 pm) than original site of Al{sup 3+} with radius of 53 pm the crystal volume lattice also increase. Further analyses of increasing volume of the crystal, as expected, affected to the decreasing of its dielectric constant. The similar trends also shown by Cr{sup 3+} doped of CuAl{sub 1−x}Cr{sub x}O{sub 2} films with smaller effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Design and fabrication of a MEMS chevron-type thermal actuator

This paper presents the design and fabrication of a MEMS chevron-type thermal actuator. The device was designed for fabrication in the standard MEMS technology, where the topography of the upper layers depends on the patterns of structural and sacrificial layers underneath. The proposed actuator presents some advantages over usual thermal vertical chevron actuators by means of low operating voltages, high output force and linear movement without deformation of the shaft. The device simulations were done using COVENTOR software. The movement obtained by simulation was 12 μm, for a voltage of 0.2 V and the current intensity of 257 mA. The design optimizes the in-plane displacement by fixed anchors and beam inclination angle. Heating is provided by Joule dissipation. The material used for manufacture of chevron-based actuator was aluminum due to its thermal and mechanical properties. The release of the movable part was performed using isotropic dry etching by Reactive Ion Etching (RIE). A first inspection was achieved using Scanning Electron Microscope (SEM). In order to obtain the in-plane displacement we carried out electrical measurements. The thermal actuator can be used for a variety of optical and microassembling applications. This kind of thermal actuator could be integrated easily with other micro devices since its fabrication is compatible with the general semiconductor processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

High-resolution planar electron beam induced current in bulk diodes using high-energy electrons

Understanding the impact of high-energy electron radiation on device characteristics remains critical for the expanding use of semiconductor electronics in space-borne applications and other radiation harsh environments. Here in this paper, we report on in situ measurements of high-energy electron radiation effects on the hole diffusion length in low threading dislocation density homoepitaxial bulk n-GaN Schottky diodes using electron beam induced current (EBIC) in high-voltage scanning electron microscopy mode. Despite the large interaction volume in this system, quantitative EBIC imaging is possible due to the sustained collimation of the incident electron beam. This approach enables direct measurement of electron radiation effects without having to thin the specimen. Using a combination of experimental EBIC measurements and Monte Carlo simulations of electron trajectories, we determine a hole diffusion length of 264 ± 11 nm for n-GaN. Irradiation with 200 kV electron beam with an accumulated dose of 24 × 10 16 electrons cm -2 led to an approximate 35% decrease in the minority carrier diffusion length.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗