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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Hydrogenation Mechanisms of Poly-Si/SiO x Passivating Contacts by Different Capping Layers

Herein, posttreatment techniques of phosphorus-doped poly-Si/SiO x passivating contacts, including forming gas annealing (FGA), atomic layer deposition (ALD) of hydrogenated aluminum oxide (AlO x :H), and plasma-enhanced chemical vapor deposition (PECVD) of hydrogenated silicon nitride (SiN x :H), are investigated and compared in terms of their application to silicon solar cells. A simple FGA posttreatment produces a significant increase in the implied open circuit voltage (iV oc ) and the effective minority-carrier lifetime (teff) of high-resistivity crystalline Si (c-Si) samples, whereas low-resistivity samples show a minimal change. Treatment by means of AlO x :H and/or SiN x :H followed by postdeposition FGA results in a universal increase in t eff and iV oc for all substrate resistivities (as high as 12.5 ms and 728 mV for 100 Ω cm and 5.4 ms and 727 mV for 2 Ω cm n-type c-Si substrates). In addition, both the FGA and AlO x :H + FGA techniques can inject sufficient hydrogen into the samples to passivate defects at the SiO x /c-Si and poly-Si/SiO x interfaces. However, this hydrogen concentration is insufficient to neutralize both the nonradiative defects inside the poly-Si films and dangling bonds associated with the amorphous Si phase present in them. The hydrogen injected by the SiN x :H + FGA technique can passivate both the interfaces and the defects and dangling bonds within the poly-Si film. These results are confirmed by low-temperature photoluminescence spectroscopy, Fourier transform infrared spectroscopy, and dynamic secondary-ion mass spectrometry measurements.

14 SOLAR ENERGY↗
DOE OSTI2026

Atomic- and Molecular-Scale Interphase Engineering for High-Performance Solid-State Batteries

Solid-state batteries (SSBs) promise a decisive advance beyond conventional Li-ion systems, yet their development remains constrained by persistent solid–solid interfacial instabilities that degrade performance and durability. Interfaces between solid electrolytes and both cathodes and Li metal often exhibit poor wettability, limited physical contact, and high charge–transfer resistance, leading to chemical decomposition, mechanical failure, and impedance growth. Overcoming these limitations requires interphase engineering with atomic-scale precision—capabilities that conventional coating methods cannot reliably deliver. Atomic layer deposition (ALD) and molecular layer deposition (MLD) uniquely meet this need by enabling ultrathin, conformal, and composition-tunable films that stabilize reactive surfaces, suppress parasitic reactions, and regulate Li-metal morphology. Importantly, this Perspective highlights ALD/MLD systems that have already demonstrated effectiveness in liquid-electrolyte cells and discusses how these validated strategies can be deliberately translated to solid-state architectures. By grounding future directions in experimentally proven concepts rather than speculative hypotheses, we outline how atomic- and molecular-scale design principles can accelerate the development of robust, high-performance SSB technologies.

atomic and molecular layer deposition↗
DOE OSTI2022

Integrated Transcriptomic and Proteomic Analysis Identifies Plasma Biomarkers of Hepatocellular Failure in Alcohol-Associated Hepatitis

Alcohol-associated hepatitis (AH) is a form of liver failure with high short-term mortality. Recent results have shown that HNF4a defective function and systemic inflammation are major disease drivers of AH. Plasma biomarkers of hepatocyte function could be useful for diagnostic and prognostic purposes. Herein an integrative analysis of hepatic RNAseq and liquid chromatography-tandem mass spectrometry (LC-MS/MS) was performed to identify plasma protein signatures for mild and severe AH patients. Alcohol-related liver disease cirrhosis (ALD)(AC), non-alcoholic fatty liver disease (NALFD), and healthy subjects (HC) were used as comparator groups. Identified proteins primarily involved in hepatocellular function were decreased in AH patients which included hepatokines, clotting factors, complement cascade components, and hepatocyte growth activators. A protein signature of AH disease severity was identified including thrombin (THRB), hepatocyte growth factor alpha (HGFA), clusterin (CLUS), human serum factor H-related protein (FHR1) and kallistatin (KAIN), which exhibited large abundance shifts between severe and non-severe AH. The combination of THRB and HGFA discriminated between severe and non-severe AH with high sensitivity and specificity. These findings were correlated with the liver expression of genes encoding secreted proteins in a similar cohort, finding a highly consistent plasma protein signature reflecting HNF4A and HNF1A functions. This unbiased proteomic-transcriptome analysis identified plasma protein signatures and pathways associated with disease severity, reflecting HNF4A/1A activity useful for diagnostic assessment in AH.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Adhesion of ZrN and Al 2 O 3 coatings on U metal from first-principles

To understand the role of alumina layer in the adhesion of ZrN coating on U-Mo surface using atomic layer deposition (ALD) technique, we investigate the interfaces of ZrN/U, Al 2 O 3 /U, and ZrN/Al 2 O 3 using first-principles density-functional theory calculations. The preferred interfacial plane orientation relationships and terminations for all the interfaces are predicted. Calculations show that both lattice mismatch and interfacial bonding play crucial roles in determining the adhesion strength of ZrN and Al 2 O 3 coatings on U metal surface. The strength of Al 2 O 3 /U and ZrN/Al 2 O 3 interfaces are found to be substantially higher than that of ZrN/U interface. The strong interfacial adhesion of Al 2 O 3 /U and ZrN/Al 2 O 3 interfaces is ascribed to the formation of ionic bonds at the interface, as compared to weak metallic bonds formed in ZrN/U interface. Furthermore, the formation of metal-oxygen ionic bonds at interface explains the role of alumina layer in the improved adhesion of ZrN coating on U-Mo surface.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dry reforming of methane over Ni supported on LaMnO 3 thin films

Thin films of LaMnO 3 were deposited onto MgAl 2 O 4 by Atomic Layer Deposition (ALD) and studied as supports for Ni in the Dry Reforming of Methane (DRM). Scanning Transmission Electron Microscopy (STEM) with Energy-Dispersive X-ray Spectroscopy (EDS) demonstrated that LaMnO 3 covered the support uniformly, and X-ray diffraction (XRD) showed that the LaMnO 3 films maintained their perovskite structure after 5 redox cycles at 1073 K. The Ni also remained well dispersed after 5 redox cycles at 1073 K. The LaMnO 3 -supported catalyst was more active than Ni on the unmodified MgAl 2 O 4 and showed superior resistance against coke formation. Lastly, the results for Ni on the LaMnO 3 films are compared to previous results for Ni on LaFeO 3 , CaTiO 3 , SrTiO 3 , and BaTiO 3 films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Tackling issues of lithium metal anodes with a novel polymeric lithicone coating

Lithium metal (Li) has been hindered from as anodes in commercial batteries for over 50 years, due to two main issues: continuous formation of solid electrolyte interphase (SEI) and lithium dendritic growth. In this work, we report a new strategy to tackle these issues, i.e., using molecular layer deposition (MLD) to grow an ionically conducting but electrically insulating polymeric lithicone coating, an Li-containing triethanolamine (LiTEA). Our electrochemical tests revealed that this LiTEA coating could serve as an exceptional protection layer over Li anodes. Consequently, the LiTEA-coated Li electrodes could achieve a superior cyclability of > 10000 Li stripping/plating cycles at a current density of 5 mA cm -2 and a long cyclability of > 5500 cycles at 2 mA cm -2 in Li||Li symmetric cells without failures, under a fixed areal capacity of 1 mAh cm -2 . Characterizations using scanning electron microscopy and X-ray photoelectron microscopy verified that Li + ions could be easily extracted through and deposited under the LiTEA coating during the stripping/plating processes. Consequently, this LiTEA coating significantly inhibited the formation of SEI and Li dendrites. This underlies the long cycling lifetime of the LiTEA-coated Li||Li cells. Coupling with the nickel-rich LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) cathodes, more encouragingly, the LiTEA-coated Li anodes could remarkably extend the cyclability and sustainable capacity of the resultant Li||NMC full cells. Finally, we also demonstrated that the performance of Li||NMC cells could be further improved through combining an LiTEA-coated Li anode with an Li 2 S-modified NMC811 via atomic layer deposition (ALD). Thus, this study is inspiring for developing high-energy Li||NMC lithium metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

The significance of the local structure of cobalt-based catalysts on the photoelectrochemical water oxidation activity of BiVO 4

The local structures of the water oxidation catalysts play an important role in reaction kinetics and the performance of the photoanodes. In this study, we deposited cobalt-based catalysts on nanoporous BiVO 4 with controlled thicknesses by atomic layer deposition (ALD). Despite the similar oxidation states of cobalt in all depositions, different water oxidation activities in neutral pH conditions were observed. Here, a dramatic photocurrent raise, lowered kinetic overpotential, and smaller charge transfer resistance across the photoanode/electrolyte interface were achieved when a uniform ultrathin Co(OH) 2 layer was formed on BiVO 4 . Photocurrent density for water oxidation showed a 95% enhancement at 0.6 V vs. RHE when the catalyst was in the form of Co(OH) 2 , while an 80% increase was obtained for CoO. Ideal coordination of Co(OH) 2 on hydroxylated BiVO 4 surface assists the charge transfer between the electrolyte and BiVO 4 without increasing surface recombination. The results of this study emphasize the importance of controlling the local structure of the catalysts in the performance of the water splitting photoanodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Artificial cathode electrolyte interphase for improving high voltage cycling stability of thick electrode with Co-free 5 V spinel oxides

Spinel-type cathode LiNi 0.5 Mn 1.5 O 4 (LNMO) has intrigued the transportation industry due to its high operating voltage and total elimination of the expensive cobalt element. However, LNMO cathode with high mass loading (> 3 mAh/cm 2 in areal capacity) has suffered from excessive capacity degradation upon long cycling. Here, a robust Al 2 O 3 surface layer is introduced to the thick LNMO electrode via atomic layer deposition (ALD). The capacity retention in full cells with the graphite anode is improved from 46.3% to 75.3% after 300 cycles with cutoff voltage up to 4.85 V, while enabling average Coulombic efficiency of 99.9% during the cycling. The post-mortem analyses reveal that the Al 2 O 3 surface layer would convert to Al-O-F /Al-F species upon cycling, offering stable interphase to protect the cathode material. Furthermore, these results demonstrate the significance of surface modification enabling high voltage cathode for next-generation LIBs.

25 ENERGY STORAGE↗
DOE OSTI2020

Enhanced activity and stability of MgO-promoted Ni/Al 2 O 3 catalyst for dry reforming of methane: Role of MgO

Highly dispersed nickel nanoparticles (NPs) were deposited on Al 2 O 3 NPs by atomic layer deposition (ALD). Various amounts of MgO were loaded on Ni/Al 2 O 3 catalysts by the incipient wetness (IW) method for dry reforming of methane. Fresh and used catalysts were systematically characterized to reveal the effects of MgO on the catalytic performance. MgO was found to increase the basic amount and basic strength of catalyst surfaces, which provided additional surface oxygen species and assisted the adsorption and activation of CO 2 . Although the formation of NiO-MgO solid solution, during the calcination of incipient wetness, did not improve the overall reducibility, the Ni NPs from NiO-MgO solid solution after reduction formed an intimate interaction with MgO, which could inhibit Ni NPs from sintering and provide sufficient metal-support interface for CO 2 activation. The MgO-promoted Ni/Al 2 O 3 reached a methane reforming rate of 1780 L CH4 g Ni -1 h -1 at 850 °C, which is 26% more than that of the pristine Ni/Al 2 O 3 . Finally, the higher CO 2 activity enhanced the oxidation rate of the surface carbon generated from side-reactions, thereby resulting in a higher reforming rate and inhibiting coke formation, especially the detrimental graphitic encapsulating carbon on the active nickel surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Evidence for redispersion of Ni on LaMnO 3 films following high-temperature oxidation

LaMnO 3 films, 0.5-nm thick, were deposited by atomic layer deposition (ALD) onto γ-Al 2 O 3 that had been modified with 15-wt% CaO. The CaO was shown to be effective in preventing formation of LaAlO 3 that formed when La 2 O 3 was deposited directly onto γ-Al 2 O 3 . Lattice fringes on the resulting CaAl 2 O 4 /γ-Al 2 O 3 substrate were weakly resolved, allowing a detailed characterization of the LaMnO 3 films. High-resolution transmission electron microscopy (HR-TEM) images showed that the LaMnO 3 formed two-dimensional crystallites, ~10 to 15 nm wide, that covered most of the surface. Crystallites with (001) and (111) orientation were clearly identified. High-temperature oxidation caused Ni to spread over the LaMnO 3 film, suggesting there is a reaction of the Ni 2+ cations with the perovskite lattice. Ni formed by high-temperature reduction on these films remained well dispersed and significantly more active for CO 2 reforming of CH 4 compared to Ni on MgAl 2 O 4 , even after repeated oxidation and reduction cycles at 1073 K. Finally, the implications of these results for understanding metal-support interactions between Ni and LaMnO 3 are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Atomic and molecular layer deposition for surface modification

Atomic and molecular layer deposition (ALD and MLD, respectively) techniques are based on repeated cycles of gas–solid surface reactions. A partial monolayer of atoms or molecules is deposited to the surface during a single deposition cycle, enabling tailored film composition in principle down to molecular resolution on ideal surfaces. Typically ALD/MLD has been used for applications where uniform and pinhole free thin film is a necessity even on 3D surfaces. However, thin – even non-uniform – atomic and molecular deposited layers can also be used to tailor the surface characteristics of different non-ideal substrates. For example, print quality of inkjet printing on polymer films and penetration of water into porous nonwovens can be adjusted with low-temperature deposited metal oxide. In addition, adhesion of extrusion coated biopolymer to inorganic oxides can be improved with a hybrid layer based on lactic acid. - Graphical abstract: Print quality of a polylactide film surface modified with atomic layer deposition prior to inkjet printing (360 dpi) with an aqueous ink. Number of printed dots illustrated as a function of 0, 5, 15 and 25 deposition cycles of trimethylaluminum and water. - Highlights: • ALD/MLD can be used to adjust surface characteristics of films and fiber materials. • Hydrophobicity after few deposition cycles of Al{sub 2}O{sub 3} due to e.g. complex formation. • Same effect on cellulosic fabrics observed with low temperature deposited TiO{sub 2}. • Different film growth and oxidation potential with different precursors. • Hybrid layer on inorganic layer can be used to improve adhesion of polymer melt.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Electrical and optical properties of Ti doped ZnO films grown on glass substrate by atomic layer deposition

Highlights: • Ti doped ZnO films were prepared on Corning XG glass substrate by ALD. • The electrical properties and optical properties were systematically investigated. • An optimized Ti doped ZnO films had low resistivity and excellent optical transmittance. - Abstract: Titanium doped zinc oxide (Ti doped ZnO) films were prepared by atomic layer deposition methods at a deposition temperature of 200 °C. The Ti content in Ti doped ZnO films was varied from 5.08 at.% to 15.02 at.%. X-ray diffraction results indicated that the crystallinity of the Ti doped ZnO films had degraded with increasing Ti content. Transmission electron microscopy was used to investigate the microstructural evolution of the Ti doped ZnO films, showing that both the grain size and crystallinity reduced with increasing Ti content. The electrical resistivity of the Ti doped ZnO films showed a minimum value of 1.6 × 10{sup −3} Ω cm with the Ti content of 6.20 at.%. Furthermore, the Ti doped ZnO films exhibited excellent transmittance.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Rational fabrication of nickel hydroxide shell on TiO{sub 2} nanorod core forming enhanced arrays for energy storage

Highlights: • Construct TiO{sub 2}/Ni(OH){sub 2} core/shell arrays by ALD-assisted HS method. • Ni(OH){sub 2} nanoflake shells show high energy storage. • Porous core/shell structure is favorable for fast ion/electron transfer. - Abstract: Integration of different functional materials into core/shell composite arrays is of great importance for high-performance energy storage. In this work, we controllably synthesize Ni(OH){sub 2} nanoflake shell on the single-crystalline TiO{sub 2} nanorod cores forming composite core/shell arrays (CSAs). Interconnected Ni(OH){sub 2} nanoflakes of 20–30 nm are uniformly coated on the TiO{sub 2} nanorods of 80–120 nm via atomic layer deposition assisted hydrothermal method. Furthermore, porous network with numerous nanopores and large surface area is formed in this core/shell structure. In view of this advantageous architecture, the designed Ni(OH){sub 2}/TiO{sub 2} CSAs are studied as cathode of alkaline batteries and show high energy storage performance with a capacity of 121 mAh g{sup −1} at 1 A g{sup −1} and 91 mAh g{sup −1} at 5 A g{sup −1}, respectively. The boosted electrochemical properties are owing to the porous core/shell architecture with improved active area and accelerated ion/electron transfer characteristics.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Wafer-scale two-dimensional Au-TiO{sub 2} bilayer films for photocatalytic degradation of Palmitic acid under UV and visible light illumination

Highlights: • Successful wafer-scale atomic layer deposition of 2D Au-TiO{sub 2} bilayer photocatalyst films. • The efficient degradation of fatty acid by tailoring 2D TiO{sub 2} films under UV and visible light illumination. • Improved visible light photocatalytic activity and photocurrent density of 2D Au-TiO{sub 2} bilayer films. • Comparable photocatalytic performance of ultra-thin 2D TiO{sub 2} and thick TiO{sub 2} films under UV light illumination. - Abstract: Bilayer Au-TiO{sub 2} configuration with two-dimensional (2D) TiO{sub 2} films enabled sensible improvement in photocatalytic degradation of Palmitic Acid (PA) and also the enhancement of current density under visible light illumination. The improved visible light photocatalytic and photocurrent properties were attained when 35 nm thick 2D TiO{sub 2} film was developed by atomic layer deposition (ALD) on Si/SiO{sub 2}-Au substrate. The Au-TiO{sub 2} bilayer demonstrated the improved photocatalytic and photovoltaic performances compared with those TiO{sub 2} films developed on Si/SiO{sub 2} bare substrate. These improvements can be attributed to the plasmonic effects of Au film acting as antenna for visible light and also serving as hole acceptor during photocatalysis process. The proposed mechanisms for enhanced visible light performance of bilayer films are hot electron injection and the formation of hot spots at Au-TiO{sub 2} interface which contributed to the electron injection to conduction band of TiO{sub 2} or facilitated the separation of generated electron-hole pairs at Au-TiO{sub 2} Schottky junction.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Water treatment based on atomically engineered materials: Atomic layer deposition and beyond

Global water stress and challenges for producing sufficient supplies of fit-for-purpose water are amplifying. Atomically engineered interfaces are emerging as a powerful tool in the fabrication of advanced water treatment materials. Atomic layer deposition (ALD) and recently developed related methods, such as sequential infiltration synthesis (SIS), offer a tremendously diverse library of chemistries for interface functionalization. Thickness, stoichiometry, and physicochemical properties can be manipulated with precision. We review their fundamental physical chemistry and processing factors. ALD/SIS engineering strategies, including direct deposition, growth with intermediate layers, and secondary treatment are presented with realization of efficient water treatment. We lay out a pathway to establishing an ALD/SIS-based universal functionalization platform for water treatment, including sensitization strategies, in situ regulation, secondary reactions, and simulation/machine learning. Furthermore, we also provide a perspective on ALD/SIS-based interface engineering via synergy with other widely used interface engineering techniques to develop facile, versatile, and energy-efficient strategies for tackling increasingly complex water challenges.

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

Gas-phase surface modification to control catalyst structure and yields in methane dehydroaromatization

Methane dehydroaromatization (MDA) is a promising approach for direct methane transformation to aromatics and hydrogen. The benchmark catalyst Mo/H-ZSM-5 struggles to find commercial adoption because of thermodynamically-limited yields and rapid coking on Brønsted acid and molybdenum carbide species, especially on zeolite external surfaces. Here, gas-phase atomic layer deposition (ALD) overcoats H-ZSM-5 external surfaces with SiO 2 or Al 2 O 3 . NH 3 -TPD, HRTEM, and textural properties show that these overcoats exclusively passivate zeolite external surfaces. Under MDA conditions, SiO 2 gives softer coke and increases cumulative benzene yields by 25%, while Al 2 O 3 strongly decreases yields. H 2 -TPR and UV-visible and Raman spectroscopy show how the overcoats redisperse the MoO x precatalysts, especially over multiple deactivation and isothermal oxidative regeneration cycles. Combined with 27 Al-MAS NMR, MoO x redistribution and dealumination are seen as the causes of long-term deactivation over multiple regeneration cycles, and this process continues to occur regardless of the overcoat. Altogether, the deposition of a small amount of silica on the outer surface of Mo/H-ZSM-5 reduces the formation of hard coke, which could be regenerated by milder methods such as hydrogen treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗