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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Sub-Bandgap Features in CdSeTe Solar Cells: Parsing the Roles of Material Properties and Cell Optics

In this contribution, we investigate why different dopant species and back-contact architectures lead to different sub-bandgap behaviors in CdSeTe solar cells. Through extraction of the absorptance from photoluminescence spectra, we parse the contributions from material properties and from cell optics. We show that, as expected, arsenic doping leads to an increase in sub-bandgap features over traditional copper doping, and that this is a material property of arsenic-doped CdSeTe. Conversely, the increase in sub-bandgap absorption and emission using alternative back contact architectures can be attributed to the cell optics, and more specifically to the increased reflectance of the back interface, leading to at least a doubling of the pathlength for sub-bandgap photons.

arsenic doping↗
DOE OSTI2025

Review of Layered Transition Metal Oxide Materials for Cathodes in Sodium-Ion Batteries

The growing interest in sodium-ion batteries (SIBs) is driven by scarcity and the rising costs of lithium, coupled with the urgent need for scalable and sustainable energy storage solutions. Among various cathode materials, layered transition metal oxides have emerged as promising candidates due to their structural similarity to lithium-ion battery (LIB) counterparts and their potential to deliver high energy density at reduced costs. However, significant challenges remain, including limited capacity at high charge/discharge rates and structural instability during extended cycling. Addressing these issues is critical for advancing SIB technology toward industrial applications, particularly for large-scale energy storage systems. This review provides a comprehensive analysis of layered sodium transition metal oxides, focusing on their structural properties, electrochemical performance, and degradation mechanisms. Special attention is given to the intrinsic and extrinsic factors contributing to their instability, such as structural phase transitions, and cationic/anionic redox behavior. Additionally, recent advancements in material design strategies, including doping, surface modifications, and composite formation, are discussed to highlight the progress toward enhancing the stability and performance of these materials. This work aims to bridge the knowledge gaps and inspire further innovations in the development of high-performance cathodes for sodium-ion batteries.

Ahangari, Mehdi (ORCID:0000000345803969)↗
DOE OSTI2024

Mono-/Bimetallic Doped and Heterostructure Engineering for Electrochemical Energy Applications

Designing efficient materials is crucial to meeting specific requirements in various electrochemical energy applications. Mono-/bimetallic doped and heterostructure engineering have attracted considerable research interest due to their unique functionalities and potential for electrochemical energy conversion and storage. However, addressing material imperfections such as low conductivity and poor active sites requires a strategic approach to design. This review explores the latest advancements in materials modified by mono-/bimetallic doped and heterojunction strategies for electrochemical energy applications. It can be subdivided into three key points: (i) the regulatory mechanisms of metal doping and heterostructure engineering for materials; (ii) the preparation methods of materials with various engineering strategies; and (iii) the synergistic effects of two engineering approaches, further highlighting their applications in supercapacitors, alkaline ion batteries, and electrocatalysis. Finally, the review concludes with perspectives and recommendations for further research to advance these technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Luminescence of Eu(3+) doped SiO2 Thin Films and Glass Prepared by Sol-gel Technology

Trivalent europium ions are an important luminophore for lighting and display. The emission of (5)D0 to (7)F2 transition exhibits a red color at about 610 nm, which is very attractive and fulfills the requirement for most red-emitting phosphors including lamp and cathode ray phosphorescence materials. Various EU(3+) doped phosphors have been developed, and luminescence properties have been extensively studied. On the other hand, sol-gel technology has been well developed by chemists. In recent years, applications of this technology to optical materials have drawn a great attention. Sol-gel technology provides a unique way to obtain homogeneous composition distribution and uniform doping, and the processing temperature can be very low. In this work, EU(3+) doped SiO2 thin films and glasses were prepared by sol-gel technology and their spectroscopic properties were investigated.

Castro, Lymari↗
DOE OSTI2020

Mitigating the Impact of Thermal Binder Removal for Direct Li-Ion Battery Recycling

Li-ion battery recycling will become critical to the management of end-of-life batteries from electric vehicles. Currently, it is a challenge to create a profitable recycling process, which is made more difficult by the reduction in cathode cobalt content. Maintenance of the cathode structure throughout the recycling process can yield increased revenues that may make recycling profitable. This method will require careful removal of the PVDF binder and carbon black, which can be achieved through thermal processing. Furthermore, it is necessary to mitigate the effects of the fluorine from the PVDF on the cathode material. Herein, we report a process that utilizes excess LiOH•H 2 O to react with this fluorine and thereby prevent lithium removal and doping of the cathode material. In addition, we demonstrate a one-step thermal process that can both remove the binder and relithiate the cathode material.

25 ENERGY STORAGE↗
DOE OSTI2025

Cobalt–niobium co-doping of indium oxide: structural and adsorption/catalytic properties for CO 2 valorization

The co-doping of the indium oxide structure with cobalt and niobium is attempted using a microemulsion method to produce high-surface-area, mesoporous, functional materials. The co-doping leads to a major nanometric bixbyite oxide phase, with both cations occupying cation positions and affecting the size and shape of the oxide entities. For specific cobalt to niobium atomic ratios, the presence of a second surface phase is encountered. Such a surface phase corresponds to an ill-defined indium hydroxide-type phase. The coexistence of the two phases is a unique phenomenon associated with the presence of both cations, which play a decisive role in promoting the CO 2 adsorption capability of the solids, as well as the valorization of the molecule under dual heat–light excitation. The co-doping of indium oxide thus appears to be a unique way to intensify the analogous thermal (classical) catalytic process for the elimination/valorization of carbon dioxide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The quest for safer nuclear fuels

Here, to increase the safety and performance of nuclear reactors, researchers are working on developing ‘accident tolerant’ fuels. Ideally, these fuel pellets will be less susceptible to swelling and be more resistant to extreme heat. This led chemists to develop uranium dioxide (UO 2 ) doped with divalent elements, E 2+ . These dopants can introduce vacancies into the lattice that lead to larger grain sizes, which create longer pathways for fission gasses to migrate out of the grains. In undoped fuel, fission gas build-up at grain boundaries causes the fuel pellet to swell. Therefore, having larger grains that slow fission gas migration into grain boundaries is highly desired. Divalent Cr 2+ ions are a commonly explored dopant for UO 2 fuels. These materials have larger grain sizes while maintaining the dissolution kinetics of undoped UO 2 , making their long-term storage and disposal paths similarly safe. Atomistic models have suggested that Mn 2+ is a conceivable alternative doping material, with the potential to increase the sizes of grains even more than Cr 2+ dopants. As such, experimental studies are required to understand the physical chemistry and reactivity of these potential fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Effect of Dilute Magnetism in a Topological Insulator

Three-dimensional (3D) topological insulator (TI) has emerged as a unique state of quantum matter and generated enormous interests in condensed matter physics. The surfaces of a 3D TI consist of a massless Dirac cone, which is characterized by the Z 2 topological invariant. Introduction of magnetism on the surface of a TI is essential to realize the quantum anomalous Hall effect and other novel magneto-electric phenomena. Here, by using a combination of first-principles calculations, magneto-transport and angle-resolved photoemission spectroscopy (ARPES), we study the electronic properties of gadolinium (Gd)-doped Sb 2 Te 3 . Our study shows that Gd doped Sb 2 Te 3 is a spin-orbit-induced bulk band-gap material, whose surface is characterized by a single topological surface state. Our results provide a new platform to investigate the interactions between dilute magnetism and topology in magnetic doped topological materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Intermediate Temperature Single Component Electrolysis Cell

This project aims at demonstrating a fundamentally new approach towards electrochemical hydrogen production using a single component cell design. Conventional electrolyzer cells consist of a stack of layers (oxygen and fuel electrodes, electrolyte layer) that require multiple processing steps and add to the fabrication cost and complexity. Here we explore the viability of a single-layer electrolyzer device based on the single-layer SOFC concepts described in literature (Asghar et al, 2020). The single layer material is a composite of ionic conductor and catalytic material consisting of ceria doped with Gd and Sm co-processed with CuFe 2 O 4 .

08 HYDROGEN↗
DOE OSTI2026

Bistable Optical Semiconductor Switching Based on C-Doped GaN

Highly resistive gallium nitride (GaN) is an essential material for power optoelectronic applications. While carbon doping is widely used to achieve semi-insulating properties in GaN, the persistent photoconductivity (PPC) arising from deep-level defect traps remains a major obstacle for high-speed power switching. This study demonstrates a novel approach: leveraging the ultrahigh photoresponsivity of GaN:C (up to 2.1 A ⋅ cm/W ⋅ kV, surpassing alternatives such as GaN:Fe) and employing defect-selective optical control to effectively quench the PPC. By synchronizing a short infrared (1064 nm) quenching pulse with UV (385 nm) excitation in an epitaxially grown GaN:C layer on a heavily doped n-type GaN substrate, we achieve a dramatic reduction in photocurrent fall time by approximately 293× (from 470 to 1.6 μ s), increasing modulation bandwidth from 745 Hz to nearly 218 kHz. Here, this advancement not only establishes a new pathway for controlling PPC in GaN:C but also enables the practical integration of GaN:C in fast power switching devices. Enhanced modulation bandwidth, along with GaN:C excellent photoresponsivity, makes it a promising candidate for optically controlled high-voltage, high-power electronic systems, such as photoconductive semiconductor switches (PCSSs) used in pulsed-power drivers, high-power microwave (HPM) sources, and high-voltage gate drivers for wide bandgap (WBG) power electronics.

Carbon-dopped Gallium nitride (GaN:C)↗
NASA NTRS2011

Metallization for Yb14MnSb11-Based Thermoelectric Materials

Thermoelectric materials provide a means for converting heat into electrical power using a fully solid-state device. Power-generating devices (which include individual couples as well as multicouple modules) require the use of ntype and p-type thermoelectric materials, typically comprising highly doped narrow band-gap semiconductors which are connected to a heat collector and electrodes. To achieve greater device efficiency and greater specific power will require using new thermoelectric materials, in more complex combinations. One such material is the p-type compound semiconductor Yb14MnSb11 (YMS), which has been demonstrated to have one of the highest ZT values at 1,000 C, the desired operational temperature of many space-based radioisotope thermoelectric generators (RTGs). Despite the favorable attributes of the bulk YMS material, it must ultimately be incorporated into a power-generating device using a suitable joining technology. Typically, processes such as diffusion bonding and/or brazing are used to join thermoelectric materials to the heat collector and electrodes, with the goal of providing a stable, ohmic contact with high thermal conductivity at the required operating temperature. Since YMS is an inorganic compound featuring chemical bonds with a mixture of covalent and ionic character, simple metallurgical diffusion bonding is difficult to implement. Furthermore, the Sb within YMS readily reacts with most metals to form antimonide compounds with a wide range of stoichiometries. Although choosing metals that react to form high-melting-point antimonides could be employed to form a stable reaction bond, it is difficult to limit the reactivity of Sb in YMS such that the electrode is not completely consumed at an operating temperature of 1,000 C. Previous attempts to form suitable metallization layers resulted in poor bonding, complete consumption of the metallization layer or fracture within the YMS thermoelement (or leg).

Firdosy, Samad↗
DOE OSTI2024

Slug-flow synthesis of NCMA: Effect of substitution of cobalt with aluminum on the electrochemical performance of Ni-rich cathode for lithium-ion battery

Nickle-rich Li[Ni 1-x-y Co x Mn y ]O 2 (x, y≤0.1) (NCM) layered materials are known as promising cathode materials for next-generation lithium-ion batteries and electric vehicles owing to their high-reversible capacity and operating voltage of up to 3.6 vs Li/Li + . However, issues, such as irreversible phase transition, cation mixing, microcrack formation, thermal and structural stability of the material prevent its widespread adoption. Although, cation doping is a well-known technique to enhance the electrochemical performance of the NCM-based cathode material, the performance of the material is very sensitive to the doping amount. In this study, three Al-doped quaternary Ni-rich cathode materials Li[Ni 0.85 Co (0.1-x) Mn 0.05 Al x ]O 2 (where, x=0–0.04) (NCMA) are synthesized through three-phase slug-flow based continuous manufacturing process followed by high temperature calcination to study the effect of Aldoping on the performance of the cathode material while reducing Co. The slug flow-based production platform has several advantages, like particle size uniformity, high production rate, and homogeneity in elemental distribution. It is found that with an increase in Al content, the specific capacity decreases but the cyclic stability and rate capability increases. Furthermore, optimum Al-doping not only compensates for the adverse effect of low Co by decreasing the extent of cation mixing, but it also minimizes the electrode polarization and cracking of the particles.

25 ENERGY STORAGE↗
DOE OSTI2023

Compare Mechanistic Predictions for Doped UO 2 Mechanical Response and Other Properties with Empirical Models and Experimental Measurements

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program develops predictive capabilities using computational methods for the analysis and design of advanced reactor and fuel cycle systems. This program has been supporting the development of BISON, a high-fidelity, high resolution fuel performance tool at the engineering scale. As part of its development, additional modeling capabilities and improvements have been developed for relevant fuel forms. In this work, a fuel creep deformation model for Cr-doped fuel has been implemented into BISON, along with improvements to the empirical UO 2 fuel creep model based on experimental data and improvements to the radial power factor calculation for doped fuels. This work allows for more accurate simulation analyses for both UO 2 and doped-UO 2 fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1993

Reflectance spectra of sulfate-and carbonate-bearing Fe(3+)-doped montmorillonites as Mars soil analogs

Ferric smectites and ferrihydrite may be common alteration products of igneous lithologies on Mars, and experiments involving montmorillonite enriched with Fe(3+) support the likelihood of ferric smectites on Mars. Mossbauer spectroscopy has been used to identify ferrihydrite (Fe4(O,OH,H2O)12) as the primary ferric material in Fe(3+)-doped montmorillonite. Ferrihydrite is especially interesting due to its role as a precursor in the formation of hematite and goethite. Reflectance spectroscopy in the visible and infrared regions are coupled with Mossbauer spectroscopy in this study to characterize the ferric material in montmorillonites containing Fe(3+), as well as carbonates or sulfates, in the interlayer region.

Bishop, Janice L.↗
DOE OSTI2025

Giant coercivity and enhanced intrinsic anomalous Hall effect at vanishing magnetization in a compensated kagome ferrimagnet

Ferrimagnets that can be driven to magnetic compensation show promise for use in spintronics as they exhibit a finite anomalous Hall effect at zero magnetic field without having a substantial magnetic moment. Compensated ferrimagnet spintronic devices with both a large anomalous Hall effect and a high coercivity would be simultaneously easy to read and difficult to erase. The kagome ferrimagnet TbMn 6 Sn 6 has been reported to host a large intrinsic anomalous Hall effect. Here, we demonstrate that doping the Mn sites with Cr drives the system toward magnetic compensation. For nearly compensated compositions at low temperatures, giant coercive fields exceeding 14 T are observed. Additionally, Cr doping markedly enhances the intrinsic anomalous Hall effect, which can be attributed to a shift in the Fermi level. Our results extend the range of unique magnetic states observed in kagome materials, demonstrating that chemical doping is an effective strategy to tune and realize these states.

DeStefano, Jonathan M. [Univ. of Washington, Seatt↗
DOE OSTI2021

p-Type molecular doping by charge transfer in halide perovskite

Efficient p-type doping is achieved in a halide perovskite through energy band tuning to allow charge transfer with the acceptor molecule F4TCNQ. Complementary characterization confirms doping and assesses the impact on optoelectronic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spectroscopic Studies of Charge-Transfer Character and Photoresponses of F 4 TCNQ-Based Donor–Acceptor Complexes

F 4 TCNQ (2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane) is used widely as a hole-doping agent in photoresponsive organic semiconducting materials, yet relatively little is known about the photoresponses of the F 4 TCNQ· - anion generated via doping. Furthermore, there is still relatively little systematic exploration of how the properties of the local material or chemical environment impacts the driving force for generating these charge-transfer complexes. Here we present spectroscopic and photophysical studies of F 4 TCNQ in charge-transfer complexes (CTCs) with the electron donor N,N’-Diphenyl-N-N’-di-p-tolylbenzene-1,4-diamine (MPDA) both in dichloroethane solution and polystyrene matrices. Integer charge transfer (ICT) between donor and acceptor occurs readily in dichloroethane solvent to form F 4 TCNQ· - :MPDA + CTCs, due to a ~150 mV difference in MPDA + /MPDA and F 4 TCNQ/F 4 TCNQ· - reduction potentials. Ultrafast spectroscopic studies of the CTC as well as electrochemically generated F 4 TCNQ· - and MDPA + reveal that the photoresponses of these CTCs are dominated by that of the dopant anion, including rapid deactivation (800 fs) after excitation to the anion D 1 excited state, followed by slower (~10 ps) vibrational cooling in the anion D 0 state. Excitation to the higher-lying D 2 state results in a rapid relaxation to the D 1 state, in contrast to direct D 2 -D 0 relaxation previously observed for F 4 TCNQ· - in gas phase. CTCs embedded in polystyrene (PS) matrices are observed to lose their integer charge-transfer character upon evaporation of solvent, as evidenced by changes to electronic and vibrational absorption features associated with F 4 TCNQ· - . This change is attributed to the loss of solvent stabilization of the ion pair formed through the charge-transfer reaction. Ultrafast spectral measurements reveal that the photoresponses of the partial charge-transfer (PCT) species embedded in PS are still highly similar to those of the ICT species and unlike that of neutral F 4 TCNQ, implying the electronic properties of the PCT state are likewise dominated by properties of the reduced acceptor molecule. We conclude that excitation of ICT or PCT states introduces optical losses for photoresponses of doped organic semiconductor materials due to the large anion absorption cross section and its rapid, dissipative deactivation dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗