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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 OSTI2020

Extended Interfacial Stability through Simple Acid Rinsing in a Li-Rich Oxide Cathode Material

Layered Li-rich Ni, Mn, Co (NMC) oxide cathodes in Li-ion batteries provide high specific capacities (>250 mAh/g) via O-redox at high voltages. However, associated high-voltage interfacial degradation processes require strategies for effective electrode surface passivation. Here, we show that an acidic surface treatment of a Li-rich NMC layered oxide cathode material leads to a substantial suppression of CO 2 and O 2 evolution, ~90% and ~100% respectively, during the first charge up to 4.8 V vs. Li +/0 . CO 2 suppression is related to Li 2 CO 3 removal as well as effective surface passivation against electrolyte degradation. This treatment does not result in any loss of discharge capacity and provides superior long-term cycling and rate performance compared to as-received, untreated materials. We also quantify the extent of lattice oxygen participation in charge compensation (“O-redox”) during Li + removal by a novel ex-situ acid titration. Our results indicate that the peroxo-like species resulting from O-redox originate on the surface at least 300 mV earlier than the activation plateau region around 4.5 V. X-ray photoelectron spectra and Mn -L X-ray absorption spectra of the cathode powders reveal a Li + deficiency and a partial reduction of Mn ions on the surface of the acid-treated material. More interestingly, although the irreversible oxygen evolution is greatly suppressed through the surface treatment, our O K-edge resonant inelastic X-ray scattering shows the lattice O-redox behavior largely sustained. The acidic treatment, therefore, only optimizes the surface of the Li-rich material and almost eliminates the irreversible gas evolution, leading to improved cycling and rate performance. This work therefore presents a simple yet effective approach to passivate cathode surfaces against interfacial instabilities during high-voltage battery operation.

25 ENERGY STORAGE↗
DOE OSTI2021

Laser-Interference Surface Preparation for Enhanced Coating Adhesion and Adhesive Joining of Multi-Materials (Final Project Report)

This report investigates a laser-interference surface treatment as a non-contact, i.e., without major solid/liquid medium application or abrasion, and non-chemical surface preparation method for aerospace coating systems. It was proposed to use the laser-interference technique to structure surfaces of Al and/or Ti, creating "rough" surfaces with pre-engineered series of ridges and valleys at submicron scale. The science goal of this study was to develop an understanding of the surface microstructure, topology, and physical mechanisms that would improve adhesion and corrosion protection of Al2024-T3. Microstructure analysis indicates that the laser-interference structuring (LIS) was found to reduce the formation of CuMn-rich precipitates in Al 2024-T3 over a 500-800 nm depth from top surface. The X-cut and cross-hatch coating adhesion ratings indicate that the LIS specimens meet the performance requirements in the coating adhesion specifications by having a higher or identical ranking to those specimens prepared with current state-of-the-art chemical conversion or sulfuric acid anodizing. After the ASTM B117 corrosion exposure, it was found that the laser processed specimens exhibited only few blisters. It was found that the corrosion damage was minimized at a laser rastering speed of 4 mm/s, for which only 33% of specimens developed very minor corrosion damage. The ASTM D1654 creepage ratings, used to evaluate corrosion damage along the scribe lines, were found to be at least nine for all coated panels. These results indicate that the laser-interference technique with the additional acetone wiping has the potential to be further developed as a minor chemical surface preparation technique for chromate-containing epoxy primers coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Unraveling the Formation Mechanism of a Hybrid Zr-Based Chemical Conversion Coating with Organic and Copper Compounds for Corrosion Inhibition

Environmental-friendly chromate-free, zirconium (Zr)-based conversion coating is a promising green technology for corrosion protection. Additives in the surface treatment provides critical functionalities and performance improvements; however, mechanistic understanding as of how the additives influence the coatings remains unclear. In this study, a new organic-inorganic hybrid Zrbased conversion coating which combines copper (Cu) compounds and polyamidoamine (PAMAM), taking advantages of a complementary nature of organic and inorganic additives. Here, a multimodal approach combining electron and X-ray characterization is applied to study the interaction of Cu 2+ and PAMAM and the resulting impacts on the coating formation. Adding PAMAM changed the surface morphology, thickness, distribution of Cu in the cluster and void formation of the coatings. High PAMAM (100-200 pm) leads to little conversion coating formation, and low PAMAM (0-25 ppm) shows voids formation under the coatings. Moreover, PAMAM incorporates in the coating in a form of PAMAM-Cu complex with a higher concentration towards the surface, provides an organic layer at the surface of the coating. X-ray absorption near-edge structure (XANES) spectroscopy shows a difference between the conventional and hybrid coating treatments in an alkaline solution to simulate the E-coat process, suggesting the contribution of PAMAM in the enhanced chemical stability in an alkaline environment. Therefore, an intermediate range of addition of PAMAM (50 ppm) is optimal to 1) avoid excessive voids formation, 2) promote some Cu cluster formation and thus enhancing the Zr-based coating formation and 3) incorporate organic components into the coating to improve the adhesion of the subsequent coatings. Overall, this work furthers our knowledge on the formation mechanism of an effective and environmentally friendly hybrid conversion coating for corrosion inhibition, demonstrating a critical processing-structureproperty relationship. This study will benefit future development of green and effective surface treatment technology.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Topographic Evolution of Heat-Treated Nb Upon Electropolishing for SRF Applications

Surface finish plays an essential role in the performance of superconducting radio frequency cavities. Several surface treatments have been developed to reduce surface resistance at a moderate accelerating gradient. We investigated the effects of sequential electropolishing on samples vacuum heat-treated at 300 and 600 °C and N-doped Nb samples using atomic force microscopy. The N-doping process precipitates niobium nitrides within grains and, most notably, continuously and deeply along some grain boundaries. Upon electropolishing, the nitrides are preferentially removed leaving behind a topographically imperfect surface marked by relatively deep holes and grooves with low radius of curvature edges. The progression of magnetic field enhancement and superheating field suppression factors upon electropolishing were investigated using atomic force micrographs. While minor changes in magnetic field enhancement and superheating field suppression factors are observed for the 300 and 600 °C heat-treated Nb, substantial improvements are observed for N-doped Nb. In this system, the most severe topographic defects are the grain boundary grooves which substantially suppress the superheating field. We find that the severity of topographic defects is related to the N-doping process.

Lechner, Eric↗
DOE OSTI2020

15.9% organic tandem solar cell with extended near-infrared absorption

Stacking single-junction organic solar cells is effective in increasing the power conversion efficiency (PCE) by reducing the thermalization loss and increasing the open circuit voltage. Current developments of non-fullerene acceptors (NFAs) offer a range of materials whose energy gaps are suited for absorbing relatively narrow slices of the solar spectrum, thus easing requirements for current balance between sub-elements in the multijunction stacks. In this report, we demonstrate a solution-processed tandem organic solar cell comprising a binary, visible-absorbing sub-cell and a ternary near-infrared (NIR) absorbing sub-cell. The ternary NIR sub-cell utilizes a narrow energy gap NFA acceptor that enables a broadened and increased absorption compared to a binary NIR sub-cell. An isopropanol surface treatment is developed to connect the hydrophilichydrophobic surfaces in the charge recombination zone (CRZ) located between the sub-cells. The nearly optically and electrically lossless CRZ combined with an anti-reflection coating results in a tandem OPV with PCE = 15.9 ± 0.2 % under AM 1.5G simulated illumination.

14 SOLAR ENERGY↗
DOE OSTI2021

Performance of hybridized bamboo-carbon fiber reinforced polypropylene composites processed using wet laid technique

The end-of-life vehicles (ELV) regulations motivate hybrid materials usage in automotive industries to optimize properties at reduced cost and increase eco-friendly designs. This research explores hybrid compositions of natural bamboo fiber and synthetic carbon fiber. The goal of hybridization was to synergistically benefit from each constituent– i.e., sustainability, energy absorption and superior damping from bamboo, and high strength and stiffness from carbon fiber. Carbon fibers (CF), bamboo fibers (BF) and polypropylene (PP) fibers were dispersed in water to produce wet-laid hybrid mats. The mats were compression molded into consolidated panels to obtain the hybrid composite(s) (BF-CF-PP). Four formulations with different fiber-resin weight percent were designed and produced including- BF-PP (30/70), BF-PP (50/50), BF-CF-PP (32/8/60), and BF-CF-PP (8/32/60). The effect of (a) fiber length, (b) surface treatment, (c) fiber content, and (d) consolidation pressure on the mechanical properties were examined. The improved mechanical (flexural strength 76.4 MPa, flexural modulus 4.1 GPa, ILSS 12.4 MPa and impact strength 49.9 KJ/m 2 ) and vibrational damping (1.05%) properties showed that the BF-CF-PP (8/32/60) provided higher properties compared to the other variants. The projected properties at various stoichiometric ratios of carbon and bamboo fiber revealed that the properties of hybrid composites could be tailored to produce desirable, cost-effective, and sustainable automotive components.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Enhancing the shredder durability for biomass preprocessing by utilizing wear-resistant cutter materials

Shredders are widely used to reduce biomass feedstock size through the shearing action of the cutter teeth that are susceptible to wear. A series of wear tests using a custom-built shredder was conducted on corn stover feedstock with three cutter materials: a conventional D2 tool steel, iron boriding as a candidate surface treatment, and M42 tool steel as a candidate alloy. Wear tests showed that the iron borided D2 steel significantly increased the tool life compared with the non-treated D2 and M42. Although the M42 cutters initially exhibited less wear than the D2 cutters, the benefit faded as preprocessing progressed. In conclusion, the experimental results demonstrated that the durability of shredder cutters can be substantially improved by applying more wear-resistant tool materials.

09 - BIOMASS FUELS↗
DOE OSTI2024

SQMS science advances impact on Rigetti commercial processors

The collaboration between the Superconducting Quantum Materials and Systems Center (SQMS) and Rigetti Computing produced several advancements in our understanding of the role of materials characteristics in quantum processor performance. This partnership leverages SQMS's extensive characterization infrastructure and cutting-edge research in materials, and Rigetti's expertise in quantum hardware and robust nanofabrication to improve precision and performance of Rigetti's test QPUs. Qubit frequency is determined in large part by the properties of Josephson junctions (JJs) made of amorphous oxide tunnel barriers; the Alternating-Bias Assisted Annealing (ABAA) process allows us to tune JJs to their desired frequency [1]. Work by SQMS researchers in characterizing high-precision JJs post-processed (using ABAA) have yielded crucial information on the nature of the structure and chemical bonding uniformity of the ABAA processed amorphous oxides. Performance has also been improved through a comprehensive series of experiments that tested encapsulation and surface treatment. Encapsulation of the niobium metal layer with tantalum resulted in an T1 improvement of 80%, experimentally confirming the role of Nb surface losses in qubit performance [2]. Pre-treatment of the underlying silicon surface prior to JJ fabrication by replacing a buffered oxide etch (BOE) with hydrofluoric acid (HF) followed by aqueous ammonium fluoride (NH4F) has shown a statistically significant improvement of T1 by 22%, and reduction in the number of strongly-coupled TLS [3]. These examples, as well as many other published and ongoing investigations, demonstrate the mutual benefits that come from Rigetti's involvement in the SQMS collaboration. [1] - Pappas, D.P., et al. (2024). https://doi.org/10.1038/s43246-024-00596-z [2] - Bal, M., et al. (2024). https://doi.org/10.1038/s41534-024-00840-x [3] Kopas, C. J. et al. Preprint at https://doi.org/10.48550/arXiv.2408.02863 (2024).

Lachman, Ella↗
DOE OSTI2025

Finite element modeling of electropolishing of radio frequency dipole Nb crab cavity in hydrofluoric-sulfuric acid electrolyte

The superior performance of niobium superconducting radio frequency (SRF) cavities is achieved through meticulous surface treatment, notably via chemical electropolishing, ensuring exceptionally smooth surfaces. While this technique has been extensively employed for cylindrically symmetric structures, addressing more intricate geometries poses significant challenges in achieving uniform polishing and controlled material removal, especially when moving away from retractable cathodes. This presents a multifaceted electrochemical, thermal, and fluid dynamics conundrum. A prime example is the 197 MHz radio frequency dipole (RFD) crabbing cavity proposed for the Electron Ion Collider (EIC) project, exemplifying such complex structures. Our groundbreaking work integrates the localized oxide thickness variation, considering its impact on current distribution and Joule heating, within the framework of multi-physics modeling using the COMSOL® simulation suite. This approach was applied to a comprehensive model of the RFD cavity, allowing us to investigate optimal external cooling water flow conditions necessary for achieving desirable outcomes. In conclusion, this illustrates the increasing utility of such multi-physics codes to greatly aid in designing solutions to challenging processing requirements for increasingly complex accelerator cavities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Helium tribology of Inconel 617 subjected to laser peening for high temperature nuclear reactor applications

Inconel 617 is among the best candidates for utilization in high temperature gas cooled reactor tribo-components. However, the combined effects of sliding contact, along with intermittent idle times and very high temperature material degradation, deteriorates the alloy tribological performance, especially under a helium atmosphere. Laser peening is a surface treatment technique which can enhance the properties at the surface and subsurface by generating deep residual stresses and enhanced microstructure. In this work, we report the tribological behavior of regular laser peened as well as thermally-engineered laser peened Inconel 617 under helium and air atmospheres at 800 °C. In addition to friction and wear studies, the specimens are characterized by different analytical techniques to further understand the mechanisms involved in the peening process and sliding contact. Regardless of the peening process and post-process treatment types, it is observed that laser peening improves the tribological characteristics of Inconel 617. Interestingly, laser peening followed by helium thermal aging shows highly enhanced tribological behavior. This is attributed to the strengthening effect of the laser peening on the surface oxides providing an excellent and lasting protective and lubricating film under helium exposure.

42 ENGINEERING↗
DOE OSTI2019

Influence of Surface Ligands on Energetics at FASnI 3 /C 60 Interfaces and Their Impact on Photovoltaic Performance

Interfacial chemistry and energetics significantly impact the performance of photovoltaic devices. In the case of Pb-containing organic metal halide perovskites, photoelectron spectroscopy has been used to determine the energetic alignment of frontier electronic energy levels at various interfaces present in the photovoltaic device. For the Sn-containing analogues, which are less toxic, no such measurements have been made. Through a combination of ultraviolet, inverse, and X-ray photoelectron spectroscopy (UPS, IPES, and XPS, respectively) measurements taken at varying thickness increments during stepwise deposition of C 60 on FASnI 3 , we present the first direct measurements of the frontier electronic energy levels across the FASnI 3 /C 60 interface. The results show band bending in both materials and transport gap widening in FASnI 3 at the interface with C 60 . The XPS results show that iodide diffuses into C 60 and results in n-doping of C 60 . This iodide diffusion out of FASnI 3 impacts the valence and conduction band energies of FASnI 3 more than the core levels, with the core level shifts displaying a different trend than the valence and conduction bands. Surface treatment of FASnI 3 with carboxylic acids and bulky ammonium substituted surface ligands results in slight alterations in the interfacial energetics, and all surface ligands result in similar or improved PV performance relative to the untreated devices. Finally, the greatest PV stability results from treatment with a fluorinated carboxylic acid derivative; however, iodide diffusion is still observed to occur with this surface ligand.

interfacial energetics↗
DOE OSTI2026

An Experimental and Numerical Study of Plasma Treatment Effects on Adhesive Joints of Metals, CFRTPs, and Metal–CFRTP Combinations

This work investigates the effects of plasma surface treatment on both the local adherend–adhesive interfacial strength and the global lap shear strength (LSS) of adhesively-bonded joints composed of metals, CFRTPs, and metal-CFRTP combinations, using AA6061 and CFRPPA as representative examples. Experimental and computational results show that plasma treatment improved the ratio of CFRPPA–adhesive interfacial normal strength to adhesive tensile strength (sint,n/scri,t,adhesive) from 0.59–1.00 to 0.91–1.73, leading to an average 90% increase in LSS for CFRPPA-related joints. In contrast, the LSS and sint,n/scri,t,adhesive values of AA6061–AA6061 joints (>=2.27) remained nearly unchanged after plasma treatment. The enhanced joint bonding was further supported by post-failure surface morphologies from three-dimensional profilometry and simulations, showing a transition from dominant interfacial failure to mixed modes involving interfacial, cohesive, and slight fiber-peeling failures. The LSS evolution with respect to sint,n/scri,t,adhesive was numerically established until the saturation of the LSS of various joints, and the behavior of AA6061–CFRPPA T-joints with varying interfacial strengths was also modeled. This study highlights the importance of local interfacial bonding strength, rather than global LSS, for understanding and optimizing the mechanical performance of adhesively-bonded composite–metal and composite-composite structures via different surface modification strategies.

Qiao, Yao (ORCID:0000000265867604)↗
DOE OSTI2020

Corrosion-Resistant Coatings for Mitigation and Repair of Spent Nuclear Fuel Dry Storage Canisters

This report summarizes the results of a literature survey on coatings and surface treatments that are used to provide corrosion protection for exposed metal surfaces. The coatings are discussed in the context of being used on stainless steel spent nuclear fuel (SNF) dry storage canisters for potential prevention or repair of corrosion and stress corrosion cracking. The report summarizes the properties of different coating classes, including the mechanisms of protection, their physical properties, and modes of degradation (thermal, chemical, radiological). Also discussed are the current standard technologies for application of the coatings, including necessary surface pretreatments (degreasing, rust removal, grinding) and their effects on coating adhesion and performance. The coatings are also classified according their possible use for in situ repair; ex situ repair, requiring removal from the overpack; and ex situ prevention, or application prior to fuel loading to provide corrosion protection over the lifetime of the canister.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Surface and bulk two-level-system losses in lithium niobate acoustic resonators

Lithium niobate (LN) is a promising material for building acoustic resonators used in quantum applications, but its performance is limited by poorly understood material defects called two-level systems (TLSs). Here, in this work, we fabricate high-performance acoustic resonators from LN with quality factors up to 6 ×10 7 and use them to separate bulk and surface contributions to TLS loss. By comparing these bulk acoustic wave (BAW) resonators with previous surface-acoustic-wave and phononic-crystal studies, we show that devices with high surface-participation ratios are limited by surface TLSs, while our BAW devices reveal an intrinsic bulk TLS limit. Through systematic surface treatments and microscopy, we demonstrate that BAW resonator performance remains unchanged despite surface modifications, confirming operation in a bulk-limited regime. Here, our work establishes quantitative bounds on both surface and bulk TLS losses in LN within the context of the material growth and fabrication approaches we have pursued, and it provides guidance for future device engineering and materials development.

acoustic wave phenomena↗
DOE OSTI2020

Thin Film Characterization on Cu/SnAg Solder Interface for 3D Packaging Technologies

Copper is a commonly used interconnect metal in microelectronic interconnects due to its exceptional electrical and thermal properties. Particularly in applications of the 2.5 and 3D integration, Cu is utilized in through-silicon-vias (TSVs) and flip chip interconnects between microelectronic chips for providing miniaturization, lower power and higher performance than current 2D packaging approaches. Furthermore, SnAg capped Cu pillars are a common high-density interconnect technology for flip chip bonding. For these interconnects, specific properties of the Cu surface, such as roughness and cleanliness, are an important factor in the process to ensure quality solder bumps. During electroplating, tight processing parameters must be met so that defects are avoided, and high bump uniformity is achieved. An understanding of the interactions at the solder and Cu pillar interface is needed, based on the electroplating parameters, to determine the best method for populating solder on the wafer surface. In this study, surface treatment techniques such as oxygen plasma cleaning were performed on the Cu surfaces and the SnAg plating chemistry for depositing the solder were evaluated through hull cell testing to qualitatively determine the range of current densities to investigate. It was observed that current density while plating played a large role in solder bump deposition morphology. At the higher current densities greater than 60 mA/cm 2 , bump height non-uniformity and dendritic growth are observed and at lower current densities, less than or equal to 60 mA/cm 2 , uniform, continuous bump height occurred.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Low temperature hydrogen plasma permeation in palladium and its alloys for fuel recycling in fusion systems

Superpermeation of hydrogen isotopes through metal foils is a critical component for efficient fuel recycling in fusion power systems. In that context hydrogen permeation through foils of palladium and its alloys with silver and copper was studied at low temperature (60 - 200°C) under plasma exposure. These alloys differ significantly in both bulk and surface properties, and comparisons can provide mechanistic insights. Here, permeation was observed only during plasma operation, confirming the negligible contribution of molecular hydrogen to the observed flux. As-received foils required surface treatment to achieve top performance. For Pd and Pd75Ag25 an oxidation treatment increased permeation an order of magnitude, but proved unstable as this desirable surface was reduced under hydrogen plasma exposure. In contrast, an Ar plasma cleaning step provided both high and stable flux. As-received FCC phase Pd60Cu40 foils required annealing to transform it into the high permeability BCC phase that delivered top performance. All foils displayed similar temperature dependence with flux declining with temperature, suggesting that the primary rate-limiting step is absorption of superthermal hydrogen. Among these foils the hydrogen flux through PdCu was 3 - 5X greater than that of Pd or PdAg, which were similar. The superiority of BCC PdCu is attributed to its superior hydrogen desorption kinetics. Using PdCu 100% permeation of supplied hydrogen was achieved, and the flux saturated with increasing plasma power at values >10 –2 mol H•m –2 •s– 1 , and under these conditions permeation rates are equivalent with or without the membrane present. The fluxes achieved are the highest reported to date at these conditions, and the results highlight the important roles of both surface and bulk properties.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Minimizing Interfacial Recombination in 1.8 eV Triple‐Halide Perovskites for 27.5% Efficient All‐Perovskite Tandems

Abstract All‐perovskite tandem solar cells show great potential to enable the highest performance at reasonable costs for a viable market entry in the near future. In particular, wide‐bandgap (WBG) perovskites with higher open‐circuit voltage ( V OC ) are essential to further improve the tandem solar cells’ performance. Here, a new 1.8 eV bandgap triple‐halide perovskite composition in conjunction with a piperazinium iodide (PI) surface treatment is developed. With structural analysis, it is found that the PI modifies the surface through a reduction of excess lead iodide in the perovskite and additionally penetrates the bulk. Constant light‐induced magneto‐transport measurements are applied to separately resolve charge carrier properties of electrons and holes. These measurements reveal a reduced deep trap state density, and improved steady‐state carrier lifetime (factor 2.6) and diffusion lengths (factor 1.6). As a result, WBG PSCs achieve 1.36 V V OC , reaching 90% of the radiative limit. Combined with a 1.26 eV narrow bandgap (NBG) perovskite with a rubidium iodide additive, this enables a tandem cell with a certified scan efficiency of 27.5%.

14 SOLAR ENERGY↗
DOE OSTI2022

Regulating surface potential maximizes voltage in all-perovskite tandems

The open circuit voltage (V OC ) deficit in perovskite solar cells (PSCs) is greater in wide bandgap (>1.7 eV) cells than in ~1.5 eV perovskites. Quasi-Fermi level splitting (QFLS) measurements reveal V OC -limiting recombination at the electron transport layer (ETL) contact. This, we find, stems from inhomogeneous surface potential and poor perovskite-ETL energetic alignment. Common monoammonium surface treatments fail to address this; instead we introduce diammonium molecules to modify the perovskite surface states and achieve a more uniform spatial distribution of surface potential. Using 1,3-propane diammonium (PDA), QFLS increases by 90 meV, enabling 1.79 eV PSCs with a certified 1.33 V V OC , and > 19% power conversion efficiency (PCE). Incorporating this layer into a monolithic all-perovskite tandem, we report a record V OC of 2.19 V (89% of the Detailed Balance V OC limit) and > 27% PCE (26.3% certified quasi-steady-state). Furthermore, these tandems retain more than 86% of their initial PCE after 500 hrs operation.

14 SOLAR ENERGY↗