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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modeling Electrodeposition in 3D Porous Architectures for Solid-State Li-Metal Batteries

Li-metal storage in three-dimensional (3D) electrodes is considered a potential dendrite-mitigation strategy. The large surface area and high porosity of these electrodes result in reduced local Li-plating current densities. The porous topology provides a scaffold for Li-deposition and stripping, maintaining both mechanical integrity and Li accessibility. The goal of this study is to understand how characteristics, such as geometry and material properties, affect the current distribution and deposition pattern. To this end, we developed a computational method to track material growth driven by electrodeposition within a complex geometry. This method ensures that the finite-element discretization remains conforming to the moving boundary while preserving an adequate mesh quality, and thus maintains solution accuracy. Using this new computational tool, we analyze the conditions under which porous anode architectures effectively expand the surface area of the charge-transfer interface, and self-regulate current density and dendrite growth.

3D electrode architectures↗
DOE OSTI2022

Exploring Si Heterojunction Solar Cell Degradation: Bulk and Interface Processes Analyzed by Simulations and Experiments in Order to Develop Mitigation Strategies

The Si technology with the highest conversion efficiency is a-Si/c-Si heterojunction (HJ) PV. Its market penetration, however, is slowed by reports that fielded HJ modules degraded at twice the rate of regular c-Si modules. Our very recent work confirmed this degradation and attributed it to enhanced recombination at the a-Si/c-Si interface, caused by the slow, order-of-magnitude increase of the defect density. We propose to comprehensively explore degradation mechanisms in Si HJ cells by combining simulations and experiments. Theoretically, we will: (1) simulate structure of a-Si and a-Si/c-Si interfaces, identify defects; (2) determine statistics of energy barriers that control defect formation; (3) compute growth of defect density from the barrier distribution, and the resulting degradation of Voc. Experimentally, we will: (1) create a series of HJ-cell-representative stacks with varying layer thicknesses and deposition conditions by using PECVD tools; (2) use temperature and injection-dependent lifetime spectroscopy to determine effective lifetimes; (3) deconvolve the data to separate bulk and interface effects, and the effects of charge density and interface defects to analyze long time degradation. The goal is to identify material and device degradation mechanisms, to develop mitigation strategies for improved stability, such as the introduction of capping layers and hydrogen diffusion control.

14 SOLAR ENERGY↗
NASA NTRS1979

Ge photocapacitive MIS infrared detectors

An undoped Ge photocapacitive detector is reported which has peak normalized detectivities at wavelengh 1.4 microns and chopping frequencies 13-1000 Hz of 9 x 10 to the 12th, 4 x 10 to the 9th cm Hz to the 1/2th/W operating respectively at temperatures 77, 195, and 295 K. The observed temperature, spectral, and frequency response of the signal and noise are explained in terms of the measured space charge and interface state properties of the device.

Binari, S. C.↗
NASA NTRS1986

Behavior of inversion layers in 3C silicon carbide

A study on the field-induced surface-charge region in 3C silicon carbide (SiC) using 1 MHz capacitance-voltage (C-V) measurements at room temperature is here reported. A double column mercury probe was used on oxidized SiC substrates to form metal-oxide-semiconductor (MOS) structures. These structures were characterized in terms of the substrate doping profile, effective fixed oxide charge, and interface trap density. A distinctive feature of the MOS C-V curves from accumulation to inversion is that after going into deep depletion the capacitance rises to its equilibrium inversion level during the voltage sweep. Capacitance transient measurements indicate that the minority-carrier generation occurs at the SiO2/SiC interface.

Avila, R. E.↗
NASA NTRS1994

The World Wide Web and Technology Transfer at NASA Langley Research Center

NASA Langley Research Center (LaRC) began using the World Wide Web (WWW) in the summer of 1993, becoming the first NASA installation to provide a Center-wide home page. This coincided with a reorganization of LaRC to provide a more concentrated focus on technology transfer to both aerospace and non-aerospace industry. Use of the WWW and NCSA Mosaic not only provides automated information dissemination, but also allows for the implementation, evolution and integration of many technology transfer applications. This paper describes several of these innovative applications, including the on-line presentation of the entire Technology Opportunities Showcase (TOPS), an industrial partnering showcase that exists on the Web long after the actual 3-day event ended. During its first year on the Web, LaRC also developed several WWW-based information repositories. The Langley Technical Report Server (LTRS), a technical paper delivery system with integrated searching and retrieval, has proved to be quite popular. The NASA Technical Report Server (NTRS), an outgrowth of LTRS, provides uniform access to many logically similar, yet physically distributed NASA report servers. WWW is also the foundation of the Langley Software Server (LSS), an experimental software distribution system which will distribute LaRC-developed software with the possible phase-out of NASA's COSMIC program. In addition to the more formal technology distribution projects, WWW has been successful in connecting people with technologies and people with other people. With the completion of the LaRC reorganization, the Technology Applications Group, charged with interfacing with non-aerospace companies, opened for business with a popular home page.

Nelson, Michael L.↗
DOE OSTI2021

Improved Control Strategy of Grid Interface for EV High-Power Dynamic Wireless Charging

This paper proposes a control strategy for the grid interface converter in high-power dynamic wireless charging system (DWCS) to address two issues on distribution network integration. Due to the unique pulsating load profile of DWCS, load transient response capability is critical for the grid interface to maintain the dc-bus voltage stable. Besides, the inherent unbalanced situation of distribution network would lead to 2nd-order oscillations on the dc-bus voltage, which would further affect the stable operation of the entire system. In this paper, the DWCS model is developed, and the relationship between the dc-bus voltage and the input/output power is analyzed. Based on the developed model, a control strategy based on direct power control is presented. Both simulation results and hardware-in-the-loop (HIL) results demonstrate that the proposed control strategy not only improves load transient response capability, but also eliminates the 2nd-order oscillations on the dc-bus voltage under imbalanced distribution network conditions.

Zeng, Rong↗
DOE OSTI2020

Implications of the fractional charge of hydroxide at the electrochemical interface

Rational design of materials that efficiently convert electrical energy into chemical bonds will ultimately depend on a thorough understanding of the electrochemical interface at the atomic level. Towards this goal, the use of density functional theory (DFT) at the generalized gradient approximation (GGA) level has been applied widely in the past 15 years. In the calculation of electrochemical reaction energetics using GGA-DFT, it is frequently implicitly assumed that ions in the Helmholtz plane have unit charge. However, the ion charge is observed to be fractional near the interface through both a capacitor model and through Bader charge partitioning. In this work, we show that this spurious charge transfer can be effectively mitigated by continuum charging of the electrolyte. Finally, we show that, similar to hydronium, the observed fractional charge of hydroxide is not due to a GGA level self-interaction error, as the partial charge is observed even when using hybrid level exchange–correlation functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Lewis Acid‐Activated Charge Trapping in Dielectric Polymers for Superior High‐Temperature Electrostatic Energy Storage

Dielectric polymer capacitors are essential for electrostatic energy storage but suffer from charge transport-induced energy losses, particularly at elevated temperatures where thermally activated charge carriers exacerbate conduction. Conventional mitigation strategies rely on introducing heterogeneous interfaces to create charge traps, complicating scalable film fabrication. A homogeneous molecular trapping mechanism would circumvent these complexities, yet remains underexplored. Herein, a charge trapping strategy is devised by modifying the lowest occupied molecular orbitals of dielectric polymers through Lewis acid-base adduct formation. The use of tris(pentafluorophenyl)boron (BCF) as a Lewis acidic molecular additive introduces deeper charge traps in commercial polyetherimide (PEI) while retaining homogeneity. With only 0.5 wt.% loading, the PEI-BCF film exhibits greatly improved breakdown strength, achieving an ultrahigh discharged energy density of 7.3 J cm-3 with excellent cycle stability at 200 °C. This work establishes a facile molecular approach to decoupling charge trapping from heterogeneous interfaces, enabling high-energy-density polymer capacitors operable under extreme thermal conditions.

Fan, Lu↗
NASA NTRS1977

Surface charge kinetics near metal-dielectric interfaces exposed to kilovolt electron flux

Interfaces between dielectric films and grounded metallic boundaries were exposed, in vacuum, to monoenergic electron fluxes having energies up to 22 keV. Two principal concerns were the measuring of the charge distributions on dielectrics and the determining of causes of flashovers, events where dielectric surface charges abruptly transfer to the metallic structures. Surface charges are perturbed within 10 mm of interfaces. Perturbations are relatively small except within about 3 mm of the interface. The probability of flashover was found to be related to microscopic imperfections in the interfaces. As flashovers occur in an exposed metal substrate, points become burned into the dielectric along the slit. As these points develop, the probability of flashover increases greatly. An interface which is highly immune to flashover was formed by covering a dielectric film with a 1.5-mm-thick aperture plate which exposes the film through a machined opening.

Robinson, J. W.↗
DOE OSTI2021

Dielectric screening and electric field control of ferromagnetism at the CaMnO 3 /CaRuO 3 interface

Control of magnetism by an applied electric field is a desirable technique for the functionalization of magnetic materials. Motivated by recent experiments, we study the electric field control of the interfacial magnetism of CaRuO 3 /CaMnO 3 (CRO/CMO) (001), a prototype interface between a non-magnetic metal and an antiferromagnetic insulator. Even without the electric field, the interfacial CMO layer acquires a ferromagnetic moment due to a spin-canted state, caused by the Anderson-Hasegawa double exchange (DEX) between the Mn moments and the leaked electrons from the CRO side. An electric field would alter the carrier density at the interface, leading to the possibility of controlling the magnetism, since DEX is sensitive to the carrier density. We study this effect quantitatively using density-functional calculations in the slab geometry. We find a text-book like dielectric screening of the electric field, which introduces polarization charges at the interfaces and the surfaces. The extra charge at the interface enhances the ferromagnetism via the DEX interaction, while away from the interface the original AFM state of the Mn layers remains unchanged. The effect could have potential application in spintronics devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Low-Loss Charge Transfer Plasmons in Graphene/α-RuCl 3 Heterostructures Below 40 K

Charge transfer at material interfaces governs a wide range of physical properties, from electronic band structures to emergent collective excitations. In two-dimensional (2D) material heterostructures, charge transfer phenomena play important roles in enabling novel quantum phases, proximity effects, and tunable plasmonic responses. One representative charge transfer interface is formed between α-RuCl 3 , a van der Waals material with high electron affinity, and graphene. Significant charge transfer across this interface induces the formation of charge-transfer plasmon polaritons (CPPs), hybrid excitations between light and charge oscillations. However, previous studies found that as the charge transfer process takes place, α-RuCl 3 becomes lossy, which limits the quality factor of CPPs. Here, we investigate CPPs down to 10 K using a home-built scattering-type scanning near-field optical microscope (s-SNOM) optimized for low-temperature measurements. Our study reveals a dramatic suppression of plasmon loss channels below 40 K, contributing to a significant enhancement in the plasmonic quality factor. This reduction in loss is likely attributed to the blue shift of the correlation-induced Mott gap in α-RuCl 3 with decreasing temperature, along with the reduction of phonon scattering at low temperature. In conclusion, our results highlight the potential of using s-SNOM and CPPs to study complex 2D interfaces and reveal correlated electron dynamics in the underlying material.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microscopic Origin of Polarization Charges at Ga N / ( Al , Ga ) N Interfaces

Ga⁢N/(Al,Ga)⁢N heterojunctions are at the heart of high-electron-mobility transistors that are being adopted for high-power and high-frequency applications. The strong polarization fields present at this interface significantly enhance the density of the two-dimensional electron gas (2DEG) that is confined on the Ga⁢ N side of the junction. The microscopic origin of these electrons has been debated over the years: after excluding that they would be contributed by bulk donors, a model that identifies surface states on the (Al, Ga)⁢N surface as the source of electrons has become widely adopted. Recently, it has become clear, however, that the measured density of surface states is insufficient to account for the high electron density in the 2DEG. Here we demonstrate, based on state-of-the-art first-principles calculations, that the source of electrons is intrinsic to the overall structure and that the negative charge in the 2DEG is balanced by fixed charge on the surface. We perform a rigorous study of polarization, using our recently developed methodology for quantifying polarization fields within the finite-sized systems that can be addressed with density-functional calculations. The results show that the electrons that appear in the 2DEG originate locally at the interface, and that the net charge at the interface is predominantly compensated by fixed charge on the surface, rather than surface states. We elucidate the source of this fixed charge and associate it with surface reconstructions or the presence of heterovalent impurities (such as oxygen). Our results force a reassessment of the impact of surface states on the density of the 2DEG: rather than serving as a supply of electrons, the surface states mainly act to pin the Fermi level. Our conclusions allow a fresh interpretation of experimental observations and allow devising guidelines for optimizing carrier densities in the 2DEG.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Design and Realization of Ohmic and Schottky Interfaces for Oxide Electronics

Understanding band alignment and charge transfer at complex oxide interfaces is critical to tailoring and utilizing their diverse functionality. Toward this goal, both Ohmic- and Schottky-like charge transfers at oxide/oxide semiconductor/metal interfaces are designed and experimentally validated. A method for predicting band alignment and charge transfer in ABO 3 perovskites is utilized, where previously established rules for simple semiconductors fail. The prototypical systems chosen are the rare class of oxide metals, SrBO 3 with B = V–Ta, when interfaced with the multifaceted semiconducting oxide, SrTiO 3 . For B = Nb and Ta, it is confirmed that a large accumulation of charge occurs in SrTiO 3 due to the higher energy Nb and Ta states relative to Ti. Furthermore, this gives rise to a high mobility metallic interface, which is an ideal epitaxial oxide/oxide Ohmic contact. On the contrary, for B = V, there is no charge transfer into the SrTiO 3 interface, which serves as a highly conductive epitaxial gate metal. Going beyond these specific cases, this work opens the door to integrating the vast phenomena of ABO 3 perovskites into a wide range of practical devices.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Processing dependence of metal/tunnel-oxide/silicon junctions

The effects of process variations on the fixed-charge density, interface-state density, and tunneling properties of tunnel oxides on (100) silicon are discussed. Annealing the oxide in nitrogen reduces the fixed-charge and interface-state densities substantially, but also causes a marked increase in oxide capacitance. Anneals in forming gas before metallization alter the interface-state distribution and decrease the insulating qualities of the tunneling oxides. Postmetallization anneals in forming gas reduce the interface-state density to 1 x 10 to the 11th e/sq cm V or below, and appear not to affect the current through the oxide. No evidence for metal-induced interface states is observed.

Dressendorfer, P. V.↗
NASA NTRS1990

MIS capacitor studies on silicon carbide single crystals

Cubic SIC metal-insulator-semiconductor (MIS) capacitors with thermally grown or chemical-vapor-deposited (CVD) insulators were characterized by capacitance-voltage (C-V), conductance-voltage (G-V), and current-voltage (I-V) measurements. The purpose of these measurements was to determine the four charge densities commonly present in an MIS capacitor (oxide fixed charge, N(f); interface trap level density, D(it); oxide trapped charge, N(ot); and mobile ionic charge, N(m)) and to determine the stability of the device properties with electric-field stress and temperature. The section headings in the report include the following: Capacitance-voltage and conductance-voltage measurements; Current-voltage measurements; Deep-level transient spectroscopy; and Conclusions (Electrical characteristics of SiC MIS capacitors).

Kopanski, J. J.↗
DOE OSTI2024

A type-I van der Waals heterostructure formed by monolayer WS 2 and trilayer PdSe 2

Two-dimensional (2D) heterostructures, formed by stacking 2D semiconductors through the van der Waals force, have been extensively studied recently. However, the majority of the heterostructures discovered so far possess type-II interfaces that facilitate interlayer charge separation. Type-I interfaces, on the other hand, confine both electrons and holes in one layer, which is beneficial for optical applications that utilize electron–hole radiative recombination. So far, only a few type-I 2D heterostructures have been achieved, which has limited the construction of multilayer heterostructures with sophisticated band landscapes. Here, we report experimental evidence of a type-I interface between monolayer WS 2 and trilayer PdSe 2 . Two-dimensional PdSe 2 has emerged as a promising material for infrared optoelectronic and other applications. We fabricated the heterostructure by stacking an exfoliated monolayer WS 2 flake on top of a trilayer PdSe 2 film, synthesized by chemical vapor deposition. Photoluminescence spectroscopy measurements revealed that the WS 2 exciton peak is significantly quenched in the heterostructure, confirming efficient excitation transfer from WS 2 to PdSe 2 . Femtosecond transient absorption measurements with various pump/probe configurations showed that both electrons and holes photoexcited in the WS 2 layer of the heterostructure can efficiently transfer to PdSe 2 , while neither type of carriers excited in PdSe 2 can transfer to WS 2 . These experimental findings establish a type-I band alignment between monolayer WS 2 and trilayer PdSe 2 . Furthermore, our results further highlight PdSe 2 as an important 2D material for constructing van der Waals heterostructures with emergent electronic and optoelectronic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Space charge studies on strong hadron cooler energy recovery linac

An Energy Recovery Linac (ERL) based cooler, using Coherent electron Cooling (CeC) is being designed for cooling hadron beams of the Electron-Ion Collider (EIC). The ERL design utilizes highcurrent, high-brightness electron beams with low emittance and a uniform longitudinal distribution for efficient hadron cooling. This is designed to operate in two modes to accommodate cooling requirements for hadron bunches at 100 GeV and 275 GeV, each with an average current of 100 mA and 1 nC bunch charge. With these parameters, the space charge effects become significant in this ERL design due to the low beam energy and high beam current. In this paper, we discuss strategies for including space charge effects in the optics design and implementation of an interface for space charge dominated and non-dominated regions of this ERL lattice.

Accelerator Physics↗
NASA NTRS1993

Ballistic-Charge-Carrier Spectroscopy Of CoSi(2)/Si Interfaces

Report discusses experiments in which ballistic-electron-emission microscopy (BEEM) and related ballistic-hole and charge-carrier-scattering spectroscopies used to investigate transport of electric-charge carriers (electrons and holes) in epitaxial CoSi2/Si system.

Hecht, Michael H.↗