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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Mild-Annealed Molecular Layer Deposition (MLD) Tincone Thin Film as Photoelectrochemically Stable and Efficient Electron Transport Layer for Si Photocathodes

Metalcone thin films, composed of inorganic–organic hybrids, are synthesized using molecular layer deposition (MLD) through reactions between organometallic precursors (e.g., Sn, Al, and Ti) and organic reactants (e.g., ethylene glycol and glycerol). Despite their unique properties, metalcones exhibit significant vulnerability to water due to their organic components, limiting their potential in electrochemical applications. This study focuses on enhancing the photoelectrochemical stability of tincone thin films in aqueous electrolyte while preserving their hybrid characteristics through mild annealing in air at 250 °C. As-deposited and vacuum-annealed tincone thin films exhibited significant degradation under these conditions, while high-temperature-annealed (500 °C) tincone thin films offered improved stability with a significant decline in charge transfer efficiency. In contrast, mild annealing in air maintained the C–O bond at half level and improved the stability and charge transport without compromising the unique characteristics of tincone. This was confirmed by ellipsometry, X-ray photoelectron spectroscopy (XPS), and Fourier transform infrared spectroscopy (FTIR). Mild-annealed tincone deposited on a lightly doped p-type silicon (p-Si) photocathode produced a 20-fold increase in CO volume compared to high-temperature annealed tincone in a CO 2 -saturated potassium bicarbonate (KHCO 3 ) electrolyte with dispersed graphene oxide–cobalt phthalocyanine (GO-CoPc) under 1 sun illumination at 0.9 V vs reversible hydrogen electrode (RHE), while maintaining the faradaic efficiency for CO and H 2 . These results suggest that mild-annealed tincone thin films hold significant potential as protective charge transport layers on silicon photocathodes for the aqueous CO 2 reduction reaction (CO 2 RR).

Annealing (metallurgy)↗
DOE OSTI2020

Disorder-Tunable ZnGeP2 for Epitaxial Top Cells on Si

There has been a longstanding search for top cell materials for Si-based tandems. ZnGeP 2 is one material that could fit this need. It is lattice matched to Si and has the potential for tuning its band gap at fixed lattice constant via cation ordering. In this study, we investigate the effects of growth and annealing conditions on the structure of ZnGeP 2 thin films. Films were deposited amorphous and then annealed ex-situ. Using low anneal temperatures or short anneal times, we were able to kinetically trap the disordered phase. We also found composition to play a role in the degree of ordering in our films. Our findings support the hypothesis that ZnGeP 2 could be implemented as a material with tunable properties at fixed lattice constant through cation ordering.

14 SOLAR ENERGY↗
NASA NTRS1989

Diffusion of Si in thin CoSi2 layers

Evidence of silicon diffusion in 100-A CoSi2 layers grown by room-temperature codeposition and annealing on Si(111) substrates was from Auger peak height ratios, which were interpreted in terms of a Si overlayer. It was found that this layer could be removed by chemical etching and reformed by subsequent annealing. By measuring the intensity of the plasmon energy loss peak associated with the CoL23 VV Auger peak, the effective thickness of the Si overlayer was measured as a function of annealing temperature, by calibrating the plasmon loss data against known overlayer thicknesses on unannealed samples. Similar results were found for samples grown both with and without the addition of a 10-A Si cap to prevent pinhole formation in the CoSi2; moreover, Si diffusion was also observed at temperatures well below the point where pinhole formation is first found, suggesting that Si diffusion does not depend on the presence of observable pinholes.

Schowengerdt, F. D.↗
DOE OSTI2020

Au-free low-temperature ohmic contacts for AlGaN/AlN/GaN heterostructures

We report Au-free, Ti/Al/Ta ohmic contact on the AlGaN/AlN/GaN heterostructure using low annealing temperature is studied in this paper. With SiCl 4 plasma treatment at the recess-etched contact region, a low contact resistance of 0.52 Ω mm and a low sheet resistance of 373 Ω/sq are achieved after annealing at 550 °C for 30 s. The low annealing temperature also leads to better surface morphology. Furthermore, AlGaN/AlN/GaN high-electron-mobility transistors (HEMTs) are fabricated with the 550 °C, 30 s annealed Ti/Al/Ta ohmic contacts, and a maximum transconductance of 123 mS/mm and a maximum drain current of 510 mA/mm are obtained for a gate length of 4 μm. Based on Silvaco's Atlas device simulation framework, a scaled-down device with a short gate length of 1 μm would produce a maximum drain current density of 815 mA/mm. It indicates that the direct current performance of the HEMTs with the ohmic metal proposed in this work is considerably better than that with Au-based ohmic contact.

42 ENGINEERING↗
DOE OSTI2022

Characterization of Engineered Pinholes in Dielectric Stacks of High-Performance Poly-Silicon Passivating Contacts

Passivating contact structures are expected to be implemented in > 50 % of industrially manufactured silicon photovoltaics produced over the next decade. One type of passivating contact utilizes a c-Si/dielectric/doped poly-Si layer stack. In cases where the dielectric layer/s are thick enough to impede tunneling of charge carriers, it was shown that disruptions (pinholes) in the dielectric are required to facilitate transport.[1] Pinholes in SiOx layers have typically been formed via high temperature annealing that allows localized breakup of this layer. This approach has drawbacks; 1) high temperature annealing increases cost and 2) pinhole formation is sensitive to both the SiOx thickness and wafer surface morphology making control of density and dimensions difficult. Recently, an alternative method of pinhole formation relying on metal assisted chemical etching (MACE) was shown to allow control over pinhole areal densities.[2] Such control is critical as both the density and dimensions of the pinholes determine saturation current density and contact resistivity. The contacts formed with the MACE process are known as polysilicon on locally etched oxide or PLEO and also result in low saturation current densities and low contact resistivity due to SiOx passivation and engineered pinhole enabled charge carrier transport, respectively. Photovoltaic devices with efficiencies greater than 20 % have recently been produced with these contacts, demonstrating the viability of contacts with engineered pinholes. Experimentally, preferential local collection of excess charge carriers has been observed and definitively connected to thermally induced pinholes in thick SiOx layers within c-Si/SiOx/poly-Si contact structures.[3] Recent work has shown that enhanced local collection of excess carriers can result from enhanced diffusion of dopants through pinholes in SiOx layers.[4] This study was restricted to simulation and characterization of poly-Si with the same dopant type as the c-Si substrates. In this work we focus our analysis on boron doped poly-Si with different stacks of dielectric layers (PLEO and PLENO where the N refers to a SiNy layer on top of the SiOx) on n-type crystalline silicon. This provides insight into how engineered pinholes affect charge collection across the p-n junction. Like previous observations of locally enhanced carrier transport through thermally induced pinholes, the EBIC images in Figure 1 shows that engineered pinholes in PLENO (1a) and PLEO (1b) also exhibit locally enhanced carrier transport at pinhole locations (bright spots in the images). We will also present detailed correlative nanoscale structural and chemical analysis using TEM imaging and EELS analysis with sample preparation guided by EBIC imaging. This allows us to connect the density and dimensions of engineered pinholes with charge carrier transport and measured photovoltaic device parameters. Our findings will accelerate the adoption of PLEO and PLENO contacts in industrially manufactured photovoltaic devices.

EBIC↗
DOE OSTI2021

A microscopic and crystallographic study of proton irradiated alloy 718

Solution annealing and age hardening are important processes for achieving good engineering and chemical properties of alloy 718. The composition of alloy 718 also plays an important role as it can affect both mechanical (γ”- and γ’-phase formation) and irradiation behaviors. Therefore, in this study five different sets of alloy 718 samples with two different chemical compositions were fabricated using different processing conditions and irradiated up to 4 dpa. Based on the effects of irradiation on the microstructural data of γ”- and γ’-phases, irradiation-induced dislocation statistics, and crystallographic data, it can be inferred that the samples processed at high solution annealing temperature (1093°C) behave better under irradiation compared to the samples processed at low solution annealing temperatures (945 and 1065°C).

36 MATERIALS SCIENCE↗
DOE OSTI2026

Absorption dissymmetry factor enhancement: A data-driven approach to unravel the synthesis knobs of chiral 2D perovskites

Chiral 2D metal halide perovskites (MHPs) are promising for spin-optoelectronic applications, yet their absorption dissymmetry factor (g abs ) exhibits significant variability due to complex, co-dependent structural and experimental factors. Here, we established a data-driven framework using Pearson’s correlation, ANOVA, and Gaussian process regression to identify and model key synthesis “knobs” governing these properties. The analysis revealed that solvent choice is the primary factor driving variability. For acetonitrile-based films, g abs was maximized by optimizing annealing temperature and film thickness. Conversely, films from higher boiling point solvents showed complex dependencies on annealing temperature, excitonic integral intensity, and film texture. These statistical correlations provide a roadmap for the rational design of high-performance chiral MHPs and establish a foundation for future machine learning-driven material exploration.

ANOVA↗
DOE OSTI2022

Thermal activation of low-density Ga implanted in Ge

The nuclear spins of low-density implanted Ga atoms in Ge are interesting candidates for solid state-based qubits. To date, activation studies of implanted Ga in Ge have focused on high densities. Here, we extend activation studies into the low-density regime. We use spreading resistance profiling and secondary ion mass spectrometry to derive electrical activation of Ga ions implanted into Ge as a function of the rapid thermal anneal temperature and implant density. We show that for our implant conditions, the activation is best for anneal temperatures between 400 and 650 °C with a maximum activation of 69% at the highest fluence. Below 400 °C, remaining implant damage results in defects that act as superfluous carriers, and above 650 °C, surface roughening and loss of Ga ions are observed. The activation increased monotonically from 10% to 69% as the implant fluence increased from 6×1010 to 6×1012 cm−2. The results provide thermal anneal conditions to be used for initial studies of using low-density Ga atoms in Ge as nuclear spin qubits.

Foster, Natalie D. (ORCID:0000000235712054)↗
DOE OSTI2025

Temperature-Agnostic Pt/Au Ohmic Contacts on n -Type Gallium Nitride for Self-Aligned MOSFETs

Five alternative metals are investigated as ohmic contacts to n-GaN including Cr/Au, Mo/Au, Pt/Au, Pd/Au, and Ge/Au. Ti-based contacts are traditionally used for ohmic contacts on n-GaN. However, conventional Ti/Al/Ni/Au metallization is found to be incompatible with a self-aligned process for GaN trench MOSFETs due to wet etch restrictions. Therefore, an alternative metallization is needed that is unreactive to the etch chemistry used in the self-aligned process. Additionally, the contact should remain ohmic following anneal at 900 °C so that contact formation can precede the anneal required for p-dopant activation. Here, in the present work, an n-GaN bilayer, consisting of a thin heavily doped contact layer (n 0 = 1 × 10 20 cm −3 ) atop a thick lesser doped layer, is used to demonstrate ohmic contacts of alternative metals with low specific contact resistance and extended thermal budget. Cr/Au ohmic contacts are demonstrated up to anneal temperatures of 800 °C, an increase of 200 °C compared to the highest known reports for Cr/Au contacts on n-GaN. Pt/Au metallization is demonstrated as an ohmic contact to n-GaN for the first time and exhibits true temperature-agnostic behavior up to anneal temperatures of 900 °C with specific contact resistance that is near parity with Ti/Al/Ni/Au. The temperature-agnostic behavior of Pt/Au ohmic contacts on the n-GaN bilayer, in addition to chemical compatibility with the self-aligned process, positions Pt/Au contacts as a key enabling element for self-aligned trench MOSFETs on GaN.

Reilly, Kevin James [Sandia National Laboratories ↗
DOE OSTI2022

Two-step annealing induced structural rejuvenation: A cause for memory effect in metallic glasses

The structural origin of the memory effect is still elusive in glassy materials. Here, in this letter, the memory effect in a series of metallic glasses (MGs) is observed by two step annealing using differential scanning calorimetry (DSC) and molecular dynamics simulations. It demonstrates that the Kovacs peak can be reflected from not only the system potential energy but also the atomic dynamics, showing the memory effect could originate from the formation of more loose packing configurations around mobile atoms by structural rejuvenation in the second step of high temperature annealing. In contrast, the high-low temperature annealing protocol can only induce the monotonic relaxation. Therefore, our results pave a pathway to better understand the origin of memory effect in MGs and other glassy materials from their dynamics and local atomic structure.

Memory effect↗
NASA NTRS1990

High Tc composite silver/oxide superconductors

Factors involved in the strong flux pinning effect of high-Tc YBa2Cu3O7/AgO (Y-123/AgO) composite and other REE-123/AgO composites were investigated. Samples of superconducting REE-123 and REE-123/AgO (where REE was Nd, Sm, Eu, Gd, Dy, Ho, Er, or Y) were prepared and used to obtain magnetic moments, critical field, and microstructure data. The optimum heat treatment conditions for the formation of strong flux-pinning REE-123/AgO composites were found to be different for different REE-123 compounds. It was found that the annealing temperature depends on the ionic size of the REE, with larger rare-earth ions requiring higher temperature. It was also found that strong flux-pinning REE-123/AgO composites form only in a narrow annealing temperature range.

Curreri, P. A.↗
DOE OSTI2024

Report Summarizing the Mechanical Properties of a Large ODS Ferritic Alloy Ingot by Forging at High Temperatures for Future Mother Tube Production

Oxide dispersion strengthened (ODS) ferritic alloys are considered the benchmark fuel cladding and core structural material in advanced nuclear energy reactors that require high-temperature strength and creep properties and resistance to radiation damage. The ODS ferritic alloys including 14YWT are produced by mechanical alloying (MA), which is time-consuming and is associated with high manufacturing costs that are not beneficial to being used in advanced nuclear energy reactors. This report summarizes the accomplishments in FY24 in the INM program for producing an ODS ferritic alloy by high-deformation, high-temperature processing of reactive and ferritic alloy powders for advanced reactor fuel cladding applications. Following four hot forging experiments, it was concluded that several significant challenges were encountered that were difficult to overcome. These challenges were related to using high annealing temperatures for pressure assisted sintering processes to produce dense microstructures, but the high annealing temperatures result in long range diffusion of Ti through the bcc Fe lattice and react with the YIG particles that are distributed on the prior surfaces of the ferritic alloy powders. In addition, it was determined that the high deformations induced by forging at high temperatures were not very effective for fracturing the reactive YIG particles into smaller particles and distributing them into the interior of the ferritic alloy powders. Spark plasma sintering was attempted for shortening the time at high temperatures, which led to full densification but the microstructure characterization results still showed that Ti atoms diffused over long distances in the bcc Fe lattice and reacted with the YIG particles. Finally, a short 30 minute high intensity ball milling experiment was conducted on blended 14WT and YIG powders for inducing severe deformations that caused the initially spherical powders of 14WT decorated with the YIG particles on the surfaces to transform to flakes and fracturing of YIG particles into smaller particles that were incorporated into the bcc Fe lattice. Two forgings were performed with the high intensity milled powders: first annealing for 20 minutes at 850ºC followed by forging and second annealing for 20 minutes at 1,100ºC followed by forging. At 850ºC, Ti atoms are effectively immobile, thus allowing for densification albeit incomplete. The deformation by forging after annealing for 20 minutes at 1,100ºC favored dynamic recrystallization processes that led to nano-size grains with very high stored energy due to high dislocation density. The corresponding VH data showed significant hardening that correlated with estimated strengthening of ~1650 MPa. This hybrid processing approach combining high intensity ball milling of powder with annealing and forging showed the most promise for producing an oxide dispersing strengthened ferritic alloy.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Effects of processing and dopant on radiation damage removal in silicon solar cells

Gallium and boron doped silicon solar cells, processed by ion-implantation followed by either laser or furnace anneal were irradiated by 1 MeV electrons and their post-irradiation recovery by thermal annealing determined. During the post-irradiation anneal, gallium-doped cells prepared by both processes recovered more rapidly and exhibited none of the severe reverse annealing observed for similarly processed 2 ohm-cm boron doped cells. Ion-implanted furnace annealed 0.1 ohm-cm boron doped cells exhibited the lowest post-irradiation annealing temperatures (200 C) after irradiation to 5 x 10 to the 13th e(-)/sq cm. The drastically lowered recovery temperature is attributed to the reduced oxygen and carbon content of the 0.1 ohm-cm cells. Analysis based on defect properties and annealing kinetics indicates that further reduction in annealing temperature should be attainable with further reduction in the silicon's carbon and/or divacancy content after irradiation.

Weinberg, I.↗
NASA NTRS1982

Effects of processing and dopant on radiation damage removal in silicon solar cells

Gallium and boron doped silicon solar cells, processed by ion implantation followed by either laser or furnace anneal were irradiated by 1 MeV electrons and their postirradiation recovery by thermal annealing was determined. During the postirradiation anneal, gallium doped cells prepared by both processes recovered more rapidly and exhibited none of the severe reverse annealing observed for similarly processed 2 ohm-cm boron doped cells. Ion implanted furnace annealed 0.1 ohm-cm boron doped cells exhibited the lowest post-irradiation annealing temperatures after irradiation. The drastically lowered recovery temperature is attributed to the reduced oxygen and carbon content of the 0.1 ohm-cm cells. Analysis based on defect properties and annealing kinetics indicates that further reduction in annealing temperature is attainable with further reduction in the silicon's carbon and/or divacancy content after irradiation.

Weinberg, I.↗
NASA NTRS1976

Dissolution kinetics of small amounts of oxygen in tantalum alloy T-111 and internal oxide displacement reactions during annealing

Oxygen was added to T-111 (Ta-8W-2Hf, wt. %) at 820 and 990 C at an oxygen pressure of about 0.0003 torr. The technique employed permitted predetermined and reproducible doping of T-111 up to 3.0 at. % oxygen. Based on the temperature dependence of the doping reaction, it is concluded that the initial rates of oxygen pickup are probably controlled by solution of oxygen into the T-111 lattice. Although hafnium oxides are more stable than those of tantalum or tungsten, analyses of extracted residues indicate that the latter oxides predominate in the as-doped specimens, presumably because of the higher concentrations of tantalum and tungsten in the alloy. However, high-temperature annealing promotes gettering of dissolved oxygen and of other oxides to form hafnium oxides. Small amounts of tantalum and tungsten oxides were still present after high-temperature annealing. Tungsten oxide (WO3) volatilizes slightly from the surface of T-111 at 990 C. The vaporization of WO3 has no apparent affect on the doping reaction.

Stecura, S.↗
DOE OSTI2020

Thermal conductivity of (Ge 2 Sb 2 Te 5 ) 1–x Cx phase change films

Germanium–antimony–telluride has emerged as a nonvolatile phase change memory material due to the large resistivity contrast between amorphous and crystalline states, rapid crystallization, and cyclic endurance. Improving thermal phase stability, however, has necessitated further alloying with optional addition of a quaternary species (e.g., C). In this work, the thermal transport implications of this additional species are investigated using frequency-domain thermoreflectance in combination with structural characterization derived from x-ray diffraction and Raman spectroscopy. Specifically, the room temperature thermal conductivity and heat capacity of (Ge 2 Sb 2 Te 5 ) 1–x C x are reported as a function of carbon concentration (x ≤ 0:12) and anneal temperature (T ≤ 350 °C) with results assessed in reference to the measured phase, structure, and electronic resistivity. Phase stability imparted by the carbon comes with comparatively low thermal penalty as materials exhibiting similar levels of crystallinity have comparable thermal conductivity despite the addition of carbon. The additional thermal stability provided by the carbon does, however, necessitate higher anneal temperatures to achieve similar levels of structural order.

42 ENGINEERING↗
DOE OSTI2021

Combinatorial screening of crystal structure in Ba-Sr-Mn-Ce perovskite oxides with ABO 3 stoichiometry

ABO 3 oxides with the perovskite-related structures are attracting significant interest due to their promising physical and chemical properties for many applications requiring tunable chemistry, including fuel cells, catalysis, and electrochemical water splitting. Here we report on the crystal structure of the entire family of perovskite oxides with ABO 3 stoichiometry, where A and B are Ba, Sr, Mn, Ce. Given the vast size of this chemically complex material system, exploration for stable perovskite-related structures with respect to its constituent elements and annealing temperature is performed by combinatorial pulsed laser deposition and spatially-resolved characterization of composition and structure. As a result of this high-throughput experimental study, we identify hexagonal perovskite-related polytypic transformation as a function of composition in the Ba 1-x Sr x MnO 3 oxides after annealing at different temperatures. Furthermore, a hexagonal perovskite-related polytype is observed in a narrow composition-temperature range of the Ba 1-x Sr x MnO 3 oxides. In contrast, a tetragonally-distorted perovskite is observed across a wider range of compositions and annealing temperatures in the Sr 1-x Ce x MnO 3 oxides. This structure stability is further enhanced along the Ba 1-x Sr x MnO 3 - Sr 1-x Ce x MnO 3 pseudo-binary tie-line at x=0.25 by increasing Ba-incorporation and annealing temperature. These results indicate that the BaCe x Mn 1-x O 3 - Sr 1-x Ce x MnO 3 pseudo-binary oxide alloys (solid solutions) with tetragonal perovskite structure and broad composition-temperature range of stability are promising candidates for thermochemical water splitting applications.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Addition of oxygen to and distribution of oxides in tantalum alloy T-111 at low concentrations

Oxygen was added at 820 and 990 C at an oxygen pressure of about .0003 torr. The technique permitted predetermined and reproducible oxygen doping of the tantalum alloy (T-111). Based on the temperature dependency of the doping reaction, it was concluded that the initial rates of oxygen pickup are probably controlled by solution of oxygen into the T-111 lattice. Although hafnium oxides are more stable than those of tantalum or tungsten, analyses of extracted residues indicate that the tantalum and tungsten oxides predominate in the as-doped specimens, presumably because of the higher concentrations of tantalum and tungsten in the alloy. However, high-temperature annealing promotes gettering of dissolved oxygen and oxygen from other oxides to form hafnium oxides. Small amounts of tantalum and tungsten oxides were still present after high temperature annealing. Tungsten oxide (WO3) volatilizes slightly from the surface of T-111 at 990 C but not at 820 C. The vaporization of WO3 has no apparent effect on the doping reaction.

Stecura, S.↗