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At least 721 records · Page 40

All sources NASA NTRS DOE OSTI

DOE OSTI2026

Will Nontoxic High‐Performance Perovskite Photovoltaics Ever Be Possible?

Lead-based halide perovskite solar cells represent a significant advancement in photovoltaic technology, achieving certified power conversion efficiencies of over 27%. However, the toxicity of lead poses a major barrier to widespread commercialization. The demand for environmentally safe alternatives has driven extensive research into Pb-free perovskites. Current efforts include replacing Pb with Sn or Ge; forming double perovskites in which Pb is substituted by a monovalent–trivalent cation pair; and developing chalcogenide perovskites where the B site (ABX 3 ) adopts tetravalent cations (rather than Pb) to balance the charge. This concept examines the recent progress in developing Pb-free alternatives, revealing fundamental performance bottlenecks, inherent material limitations, and persistent development challenges. Through a comparative assessment of material properties and device performance limitations, this work highlights the underlying dilemma between environmental safety and efficiency in perovskite photovoltaics. The analysis identifies fundamental material constraints that create substantial barriers to simultaneously achieving both objectives.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Computational discovery of two-dimensional rare-earth iodides: promising ferrovalley materials for valleytronics

Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter devices. These ferromagnetic materials exhibit valleys at or near the Fermi level with intrinsic magnetism. The strong coupling between magnetism and spin–orbit coupling induces intrinsic valley polarization. Using Kinetically Limited Minimization, an unconstrained crystal structure prediction algorithm, and prototype sampling based on first-principles calculations, we have discovered new Ferrovalley materials, rare-earth iodides RI 2 , where R is a rare-earth element belonging to Sc, Y, or La-Lu, and I is Iodine. The rare-earth iodides are layered and demonstrate either 2H, 1T, or 1T d phase as the ground state in bulk, analogous to transition metal dichalcogenides (TMDCs). The calculated exfoliation energy of monolayers (MLs) is comparable to that of graphene and TMDCs, suggesting possible experimental synthesis. The MLs in the 2H phase exhibit ferromagnetism due to unpaired electrons in d and f orbitals. Throughout the rare-earth series, d bands have valley polarization at K and $\overline{K}$ points in the Brillouin zone in the vicinity of the Fermi level. Large intrinsic valley polarization in the range of 15–143 meV without external stimuli is observed in these Ferrovalley materials, which can be enhanced further by applying an in-plane bi-axial strain. These valleys can selectively be probed and manipulated for information storage and processing, potentially offering superior performance beyond conventional electronics and spintronics. Here we further show that the 2H ferromagnetic phase of RI 2 MLs possesses non-zero Berry curvature and exhibits anomalous valley Hall effect with considerable anomalous Hall conductivity. Our work will incite exploratory synthesis of the predicted Ferrovalley materials and their application in valleytronics and beyond.

2D materials↗

NASA NTRS2004

Electrically conducting ternary amorphous fully oxidized materials and their application

Electrically active devices are formed using a special conducting material of the form Tm--Ox mixed with SiO2 where the materials are immiscible. The immiscible materials are forced together by using high energy process to form an amorphous phase of the two materials. The amorphous combination of the two materials is electrically conducting but forms an effective barrier.

Giauque, Pierre↗

DOE OSTI2024

Role of mechanical stress localizations on the radiation hardness of AlGaN/GaN high electron mobility transistors

Multi-material, multi-layered systems such as AlGaN/GaN high electron mobility transistors (HEMTs) contain residual mechanical stresses that arise from sharp contrasts in device geometry and materials parameters. These stresses, which can be either tensile or compressive, are difficult to detect and eliminate because of their highly localized nature. We propose that their high-stored internal energy makes potential sites for defect nucleation sites under radiation, particularly if their locations coincide with the electrically sensitive regions of a transistor. In this study, we validate this hypothesis with molecular dynamic simulation and experiments exposing both pristine and annealed HEMTS to 2.8 MeV Au +3 irradiation. Our unique annealing process uses mechanical momentum of electrons, also known as the electron wind force (EWF) to mitigate the residual stress at room temperature. High-resolution transmission electron microscopy and cathodoluminescence spectra reveal the reduction of point defects and dislocations near the two-dimensional electron gas region of EWF-treated devices compared to pristine devices. The EWF-treated HEMTs showed relatively higher resilience with approximately 10% less degradation of drain saturation current and ON-resistance and 5% less degradation of peak transconductance. Both mobility and carrier concentration of the EWF-treated devices were less impacted compared to the pristine devices. Our results suggest that the lower density of nanoscale stress localization contributed to the improved radiation tolerance of the EWF-treated devices. Intriguingly, the EWF is found to modulate the defect distribution by moving the defects to electrically less sensitive regions in the form of dislocation networks, which act as sinks for the radiation induced defects and this assisted faster dynamic annealing.

AlGaN/GaN HEMTs↗

DOE OSTI2020

Synergistically integrated phosphonated poly(pentafluorostyrene) for fuel cells

Modern electrochemical energy conversion devices require more advanced proton conductors for their broad applications. Phosphonated polymers have been proposed as anhydrous proton conductors for fuel cells. However, the anhydride formation of phosphonic acid functional groups lowers proton conductivity and this prevents the use of phosphonated polymers in fuel cell applications. Here, we report a poly(2,3,5,6-tetrafluorostyrene-4-phosphonic acid) that does not undergo anhydride formation and thus maintains protonic conductivity above 200 °C. We use the phosphonated polymer in fuel cell electrodes with an ion-pair coordinated membrane in a membrane electrode assembly. We find that this synergistically integrated fuel cell reached peak power densities of 1,130 mW cm -2 at 160 °C and 1,740 mW cm -2 at 240 °C under H2/O2 conditions, substantially outperforming polybenzimidazole- and metal phosphate-based fuel cells. Our result indicates a pathway towards using phosphonated polymers in high-performance fuel cells under hot and dry operating conditions.

25 ENERGY STORAGE↗

DOE OSTI2023

New value of old knowledge: sulphur-based GaAs surface passivation and potential GaAs application in molecular electronics and spintronics

GaAs is well known for its extremely high electron mobility and direct band gap. Owing to the technological advances in silicon-based technology, GaAs has been limited to niche areas. This paper discusses the application of GaAs in molecular electronics and spintronics as a potential field for considering this amazing but challenging material. GaAs is challenging because its surface is characterized by a high density of surface states, which precludes the utilization of this semiconducting material in mainstream devices. Sulfur(S)-based passivation has been found to be significantly useful for reducing the effect of dangling bonds and was researched thoroughly. GaAs applications in molecular spintronics and electronics can benefit significantly from prior knowledge of GaAs and S interactions because S is a popular functional group for bonding molecular device elements with different semiconductors and metals. In this article, the problem associated with the GaAs surface is discussed in a tutorial form. A wide variety of surface passivation methods has been briefly introduced. We attempted to highlight the significant differences in the S-GaAs interactions for different S passivation methods. We also elaborate on the mechanisms and atomic-scale understanding of the variation in surface chemistry and reconstruction due to various S passivation methods. It is envisioned that GaAs and thiol-terminated molecule-based novel devices can exhibit innovative device characteristics and bring the added advantage of S-based passivation.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Microwave response of a HEMT photoconductive detector

Interdigitated photoconductive detectors with 5-micron geometry have been fabricated on HEMT material and their optical response characteristics at 820 nm have been examined at dc and in the frequency range of 2-8 GHz. These have been compared with characteristics of similar 1-micron devices on MESFET material. The shapes of the frequency responses were found to differ, but the useful bandwidth of both types of devices was found to be similar.

Claspy, P. C.↗

NASA NTRS1992

Page turning system

A device for holding reading materials for use by readers without arm mobility is presented. The device is adapted to hold the reading materials in position for reading with the pages displayed to enable turning by use of a rubber tipped stick that is held in the mouth and has a pair of rectangular frames. The frames are for holding and positioning the reading materials opened in reading posture with the pages displayed at a substantially unobstructed sighting position for reading. The pair of rectangular frames are connected to one another by a hinge so the angle between the frames may be varied thereby varying the inclination of the reading material. A pair of bent spring mounted wires for holding opposing pages of the reading material open for reading without substantial visual interference of the pages is mounted to the base. The wires are also adjustable to the thickness of the reading material and have a variable friction adjustment. This enables the force of the wires against the pages to be varied and permits the reader to manipulate the pages with the stick.

Kerley, James J.↗

DOE OSTI2021

High thermoelectric figure of merit of porous Si nanowires from 300 to 700 K.

Thermoelectrics operating at high temperature can cost-effectively convert waste heat and compete with other zero-carbon technologies. Among different high-temperature thermoelectrics materials, silicon nanowires possess the combined attributes of cost effectiveness and mature manufacturing infrastructures. Despite significant breakthroughs in silicon nanowires based thermoelectrics for waste heat conversion, the figure of merit (ZT) or operating temperature has remained low. Here, we report the synthesis of large-area, wafer-scale arrays of porous silicon nanowires with ultra-thin Si crystallite size of ~4 nm. Concurrent measurements of thermal conductivity (κ), electrical conductivity (σ), and Seebeck coefficient (S) on the same nanowire show a ZT of 0.71 at 700 K, which is more than ~18 times higher than bulk Si. This ZT value is more than two times higher than any nanostructured Si-based thermoelectrics reported in the literature at 700 K. Experimental data and theoretical modeling demonstrate that this work has the potential to achieve a ZT of ~1 at 1000 K.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Long operating lifetime mid-infrared LEDs based on black phosphorus

Abstract Black phosphorus (BP) is a narrow bandgap layered semiconductor promising for mid-infrared optoelectronic applications. BP-based devices have been shown to surpass state-of-the-art mid-infrared detectors and light-emitting diodes (LEDs) in terms of performance. Despite their device advantages, the material’s inherent instability in the air could hinder its use in practical optoelectronic applications. Here, we investigated the impact of passivation on the device lifetime of BP LEDs, which deteriorate in a matter of seconds without using passivation. The lifetime is significantly extended with an Al 2 O 3 passivation layer and nitrogen packaging via atomic layer deposition and ultra-violet curable resin sealing. The operational lifetime (half-life) at room temperature is extrapolated to be ~15,000 h with an initial power density of 340 mW/cm 2 based on accelerated life testing. The present results indicate that efficient BP optoelectronics can be highly robust through simple and scalable packaging technologies, with important practical implications for mid-infrared applications.

42 ENGINEERING↗

NASA NTRS1984

The SCEPTRE facility: Improved simulation of the space environment through the application of advanced technology

SCEPTRE (Space Combined Effects Primary Test Research Equipment) is the Air Force Materials Laboratory's primary device for performance testing of spacecraft thermal control materials. It has been undergoing a major upgrade in the last two years aimed at making it capable of simulating the synergistic effects of vacuum, ultraviolet radiation, and electron radiation. In the course of this work, a number of advances have been made in the areas of computer data processing, solar simulation, and the analysis of test results.

Ruley, J. D.↗

NASA NTRS2000

Thermoelectric materials with filled skutterudite structure for thermoelectric devices

A class of thermoelectric compounds based on the skutterudite structure with heavy filling atoms in the empty octants and substituting transition metals and main-group atoms. High Seebeck coefficients and low thermal conductivities are achieved in combination with large electrical conductivities in these filled skutterudites for large ZT values. Substituting and filling methods are disclosed to synthesize skutterudite compositions with desired thermoelectric properties. A melting and/or sintering process in combination with powder metallurgy techniques is used to fabricate these new materials.

Fleurial, Jean-Pierre↗

NASA NTRS2002

Thermoelectric materials with filled skutterudite structure for thermoelectric devices

Fleurial, Jean-Pierre↗

DOE OSTI2025

Polarization and domains in wurtzite ferroelectrics: Fundamentals and applications

The 2019 report of ferroelectricity in (Al,Sc)N [Fichtner et al., J. Appl. Phys. 125, 114103 (2019)] broke a long-standing tradition of considering AlN the textbook example of a polar but non-ferroelectric material. Combined with the recent emergence of ferroelectricity in HfO2-based fluorites [Böscke et al., Appl. Phys. Lett. 99, 102903 (2011)], these unexpected discoveries have reinvigorated studies of integrated ferroelectrics, with teams racing to understand the fundamentals and/or deploy these new materials—or, more correctly, attractive new capabilities of old materials—in commercial devices. The five years since the seminal report of ferroelectric (Al,Sc)N [Fichtner et al., J. Appl. Phys. 125, 114103 (2019)] have been particularly exciting, and several aspects of recent advances have already been covered in recent review articles [Jena et al., Jpn. J. Appl. Phys. 58, SC0801 (2019); Wang et al., Appl. Phys. Lett. 124, 150501 (2024); Kim et al., Nat. Nanotechnol. 18, 422–441 (2023); and F. Yang, Adv. Electron. Mater. 11, 2400279 (2024)]. We focus here on how the ferroelectric wurtzites have made the field rethink domain walls and the polarization reversal process—including the very character of spontaneous polarization itself—beyond the classic understanding that was based primarily around perovskite oxides and extended to other chemistries with various caveats. The tetrahedral and highly covalent bonding of AlN along with the correspondingly large bandgap lead to fundamental differences in doping/alloying, defect compensation, and charge distribution when compared to the classic ferroelectric systems; combined with the unipolar symmetry of the wurtzite structure, the result is a class of ferroelectrics that are both familiar and puzzling, with characteristics that seem to be perfectly enabling and simultaneously nonstarters for modern integrated devices. The goal of this review is to (relatively) quickly bring the reader up to speed on the current—at least as of early 2025—understanding of domains and defects in wurtzite ferroelectrics, covering the most relevant work on the fundamental science of these materials as well as some of the most exciting work in early demonstrations of device structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1996

The Effect of Gravity Axis Orientation on the Growth of Phthalocyanine Thin Films

Experimentally, many of the functions of electrical circuits have been demonstrated using optical circuits and, in theory, all of these functions may be accomplished using optical devices made of nonlinear optical materials. Actual construction of nonlinear optical devices is one of the most active areas in all optical research being done at this time. Physical vapor transport (PVT) is a promising technique for production of thin films of a variety of organic and inorganic materials. Film optical quality, orientation of microcrystals, and thickness depends critically on type of material, pressure of buffer gas and temperature of deposition. An important but understudied influence on film characteristics is the effect of gravity-driven buoyancy. Frazier, Hung, Paley, Penn and Long have recently reported mathematical modelling of the vapor deposition process and tested the predictions of the model on the thickness of films grown by PVT of 6-(2-methyl-4-nitroanilino)-2,4-hexadiyn-l-ol (DAMNA). In an historic experiment, Debe, et. al. offered definitive proof that copper phthalocyanine films grown in a low gravity environment are denser and more ordered than those grown at 1 g. This work seeks to determine the influence on film quality of gravity driven buoyancy in the low pressure PVT film growth of metal-free phthalocyanine.

Pearson, Earl F.↗

DOE OSTI2022

Distinguishing Bulk and Surface Recombination By Measuring and Modeling Ultrafast Carrier Dynamics

Distinguishing Bulk and Surface Recombination By Measuring and Modeling Ultrafast Carrier Dynamics The combination of modeling with TRTS and TRPL under multiple excitation conditions improves accuracy and precision of parameter estimation. Ultrafast carrier dynamics can link materials, processing, and device performance to direct the design of more efficient solar cells.

14 SOLAR ENERGY↗

DOE OSTI2021

Direct comparison of gamma, electron beam and X-ray irradiation effects on single-use blood collection devices with plastic components

Not Available

Fifield, Leonard S.↗

DOE OSTI2021

Measurement techniques of thermoelectric devices and modules

Thermoelectric (TE) energy conversion devices are designed based on measured material transport properties. Although an ideal device efficiency can be calculated using the figure of merit, zT, the actual efficiency of a thermoelectric module is smaller and must be measured. TE device performance testing techniques and procedures are reviewed with a focus on energy conversion efficiency. One of the areas that attract less attention in the literature is the transition from basic thermoelectric materials research to the production of modules and devices. The effects of interface layers, diffusion barriers, thermal insulations, and heat sinks are reviewed. Finally, device performance from single couples to standard modules and long-term reliability are discussed.

Wang, Hsin↗