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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Al2O3 Atomic Layer Deposition on Nanostructured γ-Mg(BH4)2 for H2 Storage

In the context of the growing hydrogen (H 2 ) economy, the demand for H 2 storage materials is high, and metal borohydrides are of particular interest. Magnesium borohydride, Mg(BH 4 ) 2 , has one of the highest hydrogen capacities of all known metal hydrides (14.9 wt % H) but suffers from high operating temperatures, slow kinetics for (de)hydrogenation, and the loss of capacity upon cycling. Strategies to address these challenges include nanoencapsulation and the use of chemical additives. This work is the first to utilize these two strategies simultaneously by using atomic layer deposition (ALD). For this new approach to modify borohydrides, we chose the well-studied Al 2 O 3 ALD process using trimethylaluminum and water. Although there has been limited use of aluminum-based additives for Mg(BH 4 ) 2 , we demonstrate that the low-temperature H 2 capacity was doubled, desorption kinetics were increased by a factor of 3, and 100 cycles of Al 2 O 3 suppressed the release of diborane compared to the uncoated Mg(BH4)2. We identified that the use of trimethylaluminum and water in the ALD process affected the decomposition pathway and that the Al 2 O 3 film growth is dominated by infiltration due to the high porosity of the ..gamma..-phase Mg(BH 4 ) 2 . From these results, the potential of ALD as a method to functionalize solid-state H 2 storage materials is inferred, and recommendations for future ALD processes are presented.

08 HYDROGEN↗
DOE OSTI2022

Silver-Loaded Xerogel Nanostructures for Iodine Capture: A Comparison of Thiolated versus Unthiolated Sorbents

Here this paper describes the development and provides comparisons of thiolated (-SH) and unthiolated Ag-Al-Si-O xerogels for iodine gas capture. These xerogels were produced from alkoxides and then heat-treated at 350 °C to provide mechanical strength for subsequent processing steps. Then, a portion of the xerogels was thiolated using (3-mercaptopropyl)trimethoxysilane. Next, thiolated and unthiolated batches were ion-exchanged in AgNO 3 solutions where Ag + replaced Na + in the gel network on a near 1:1 molar basis. Subsamples of the Ag-exchanged xerogels were subjected to a reduction step in H 2 /Ar to convert Ag + to Ag 0 where the rest of the Ag-exchanged (Ag + ) were not reduced. X-ray diffraction, X-ray photoelectron spectroscopy, and transmission electron microscopy revealed nanoscale Ag 0 in the Ag + samples despite no active reduction where actively reduced samples had bimodal Ag 0 distribution of ~2-3 nm hexagonal and ~6-7 nm cubic crystallites. Synchrotron X-ray absorption spectroscopy was used to assess the oxidization states of Ag, S, and I within the different xerogel samples. The specific surface areas of the base xerogels decreased as subsequent treatments were performed on the as-made samples, albeit the decreases were smaller than aerogel equivalents of these samples from a previous study. All iodine-loaded Ag-based samples showed a mixture of β-AgI and γ-AgI. Comparisons of iodine-loading results with other Ag-based iodine sorbents show that the thiolated Ag 0 -xerogels in this work have one of the highest iodine-loading capacities (q e ) reported to date in saturated conditions with the thiolated Ag 0 -xerogel showing 522 mg iodine per g of the sorbent.

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

High-Sensitivity Low-Energy Ion Spectroscopy with Sub-Nanometer Depth Resolution Reveals Oxidation Resistance of MoS 2 Increases with Film Density and Shear-Induced Nanostructural Modifications of the Surface

For decades, density has been attributed as a critical aspect of the structure of sputter-deposited nanocrystalline molybdenum disulfide (MoS 2 ) coatings impacting oxidation resistance and wear resistance. Despite its importance, there are few examples in the literature that explicitly investigate the relationship between the density and oxidation behaviors of MoS 2 coatings. Aging and oxidation are primary considerations for the use of MoS 2 coatings in aerospace applications as they inevitably experience prolonged storage in water and oxygen-rich environments prior to use. Oxidation that is either limited to the first few nanometers or through the bulk of the coating can result in seizure due to high initial coefficients of friction or component failure from excessive wear. High-sensitivity low-energy ion spectroscopy (HS-LEIS) and Rutherford backscattering spectrometry (RBS) are both used to understand the extent of oxidation throughout the first ~10 nanometers of the surface of pure sputtered nanocrystalline MoS 2 coatings after high-temperature aging and how it is impacted by the density of coatings as measured by RBS. Results show that low-density coatings (ρ = 3.55 g/cm 3 ) exhibit a more columnar microstructure and voiding, which act as pathways for oxidative species to penetrate and interact with edge sites, causing severe surface and subsurface oxidation. Furthermore, HS-LEIS of surfaces sheared prior to oxidation reveals that the oxidation resistance of low-density MoS 2 coatings can be significantly improved by shear-induced reorientation of the surface microstructure to a basal orientation and elimination of pathways for oxygen into the bulk through compaction of surface and subsurface voids.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Highly Selective Methane to Methanol Conversion on Inverse SnO 2 /Cu 2 O/Cu(111) Catalysts: Unique Properties of SnO 2 Nanostructures and the Inhibition of the Direct Oxidative Combustion of Methane

Direct methane to methanol (CH 4 → CH 3 OH) conversion in heterogeneous catalysis has been a long-standing challenge due to the difficulties in equalizing the activation of methane and protection of the methanol product at the same reaction conditions. Here, we report an inverse catalyst, consisting of small structures of SnO 2 (0.5-1 nm in size) dispersed on Cu 2 O/Cu(111), for highly selective CH 3 OH production from CH 4 . This system was investigated by combining theoretical [density functional theory calculations (DFT), kinetic Monte Carlo simulations (KMC)] and experimental methods [scanning tunneling microscopy (STM), ambient-pressure X-ray photoelectron spectroscopy (AP-XPS)]. The DFT and AP-XPS studies showed that on SnO 2 /Cu 2 O/Cu(111) the conversion of CH 4 by oxygen (O 2 ) preferred complete combustion to carbon dioxide (CO 2 ). The addition of water (H 2 O) enhanced the production of CH 3 OH to nearly 100% selectivity in KMC simulations. This trend was consistent with results of AP-XPS. The presence of water in the reaction environment rendered an extremely high amount of methoxy species (*CH 3 O), a precursor for CH 3 OH production. Further, the high CH 3 OH selectivity of SnO 2 /Cu 2 O/Cu(111) reflected the unique atomic and electronic structure of the supported SnO 2 nanoparticles. As a result, the O 2 adsorption and dissociation, and thus the full combustion of CH 4 to CO 2 , was completely suppressed; while the H 2 O dissociative adsorption was still feasible, providing active hydroxyl species for a truly selective CH 4 to CH 3 OH conversion.

03 NATURAL GAS↗