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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Surviving Under Pressure: The Role of Solvent, Crystal Size, and Morphology During Pelletization of Metal–Organic Frameworks

As metal–organic frameworks (MOFs) gain traction for applications, such as hydrogen storage, it is essential to form the as-synthesized powder materials into shaped bodies with high packing densities to maximize their volumetric performance. Mechanical compaction, which involves compressing the materials at high pressure, has been reported to yield high monolith density but often results in a significant loss in accessible porosity. Herein, we sought to systematically control (1) crystal size, (2) solvation, and (3) compacting pressure in the pelletization process to achieve high packing density without compromising the porosity that makes MOFs functional. It was determined that solvation is the most critical factor among the three factors examined. Solvation that exceeds the pore volume prevents the framework from collapsing, allowing for porosity to be maintained through pelletization. Higher pelletization pressure results in higher packing density, with extensive loss of porosity being observed at a higher pressure if the solvation is below the pore volume. Lastly, we observed that the morphology and size of the MOF particles result in variation in the highest achievable packing efficiency, but these numbers (75%) are still greater than many existing techniques used to form MOFs. Furthermore, we concluded that the application of pressure through pelletization is a suitable and widely applicable technique for forming high-density MOF-monoliths.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Critical insights into the steam electrolysis electrode in protonic ceramic cells for hydrogen production

Intermediate-temperature protonic ceramic electrolysis cells (PCECs), which combine the benefits of both lower- and higher-temperature electrolysis, are among the most efficient technologies for the production of green hydrogen. To ensure economic competitiveness and broad adoption, ongoing innovations in cell materials are essential to improve durability and reduce costs. The water oxidation half-reaction at the anode is a key area for improvement as it is a major contributor to performance degradation and efficiency loss in PCECs. Current anode designs, which are largely derived from solid oxide electrolysis cells, fail to address the specific requirements for PCECs under realistic operating conditions. Here, this Perspective highlights the unique challenges faced by PCEC anodes, focusing on the impact of high steam concentrations and the critical role of proton-coupled electron-transfer mechanisms—factors that are absent in solid oxide electrolysis cells. Furthermore, we explore design principles for advancing anodes tailored for PCECs, offering guidance for future research and development in this promising field.

Electrocatalysis↗
DOE OSTI2023

Using earth abundant materials for long duration energy storage: electro-chemical and thermo-chemical cycling of bicarbonate/formate

Using hydrogen to store energy in chemical bonds is a key component of the global strategy to achieving a sustainable future and ameliorating climate change. The challenges associated with handling molecular hydrogen can be solved by using liquid hydrogen carriers. In this perspective, we discuss the concept of bicarbonate–formate cycle, where aqueous solutions of formate ions (HCO 2 – ) are used as hydrogen and energy carriers. Such solutions are composed by earth abundant elements and, in contrast to common liquid organic carriers, are non-flammable, and readily convert to the oxide forms (HCO 3 – ) under reaction with water to release hydrogen, or electrons, at moderate temperatures. We discuss thermodynamic aspects of the bicarbonate–formate cycle and show how it offers the opportunity of combining electrochemical and thermochemical operations, as well as of coupling CO 2 capture with energy/hydrogen storage. We emphasize the potential role of electrochemistry in the generation of formate and in the release of energy in the form of electricity. At present, more information on both the fundamental and systems level, is needed to identify the feasible scenarios for using formate/bicarbonate salts for hydrogen/energy storage. It is likely, however, that several strategies, including hybrid electrochemical–thermochemical approaches, will suit different applications. It is also clear that more integration between the disciplines of electrochemistry and heterogeneous catalysis is needed to overcome the challenges for advancing the HCO 3 – –HCO 2 – system as a feasible green alternative for storing and transporting energy.

08 HYDROGEN↗
NASA NTRS2002

Radiation Exposure Effects and Shielding Analysis of Carbon Nanotube Materials

Carbon nanotube materials promise to be the basis for a variety of emerging technologies with aerospace applications. Potential applications to human space flight include spacecraft shielding, hydrogen storage, structures and fixtures and nano-electronics. Appropriate risk analysis on the properties of nanotube materials is essential for future mission safety. Along with other environmental hazards, materials used in space flight encounter a hostile radiation environment for all mission profiles, from low earth orbit to interplanetary space.

Wilkins, Richard↗
DOE OSTI2021

Defying Thermodynamics: Stabilization of Alane Within Covalent Triazine Frameworks for Reversible Hydrogen Storage

Metastable metal hydrides such as AlH 3 have many attractive features as hydrogen storage media, but generally require complex reaction schemes for regeneration following H 2 release. Here in this paper, we demonstrate that the highly unfavorable thermodynamics of direct aluminum hydrogenation can be overcome by stabilizing alane within a nanoporous bipyridine-functionalized Covalent Triazine Framework (AlH 3 @CTF-bipyridine). This material and the counterpart AlH 3 @CTF-biphenyl rapidly desorb H 2 between 95 and 154 °C, with desorption complete at 250 °C. Sieverts measurements, 27 Al MAS NMR and 27 Al{ 1 H} REDOR experiments, and computational spectroscopy reveal that AlH 3 @CTF-bipyridine dehydrogenation is reversible at 60 °C under 700 bar hydrogen, >10 times lower pressure than that required to hydrogenate bulk aluminum. DFT calculations and EPR measurements support an unconventional mechanism whereby strong AlH 3 binding to bipyridine results in single-electron transfer to form AlH 2 (AlH 3 ) n clusters. The resulting size-dependent charge redistribution alters the dehydrogenation/rehydrogenation thermochemistry, suggesting a novel strategy to enable reversibility in high-capacity metal hydrides.

Coordination Chemistry↗
DOE OSTI2022

In Situ Nanoscale Dynamics Imaging in a Proton‐Conducting Solid Oxide for Protonic Ceramic Fuel Cells

Abstract Hydrogen fuel cells and electrolyzers operating below 600 °C, ideally below 400 °C, are essential components in the clean energy transition. Yttrium‐doped barium zirconate BaZr 0.8 Y 0.2 O 3‐d (BZY) has attracted a lot of attention as a proton‐conducting solid oxide for electrochemical devices due to its high chemical stability and proton conductivity in the desired temperature range. Grain interfaces and topological defects modulate bulk proton conductivity and hydration, especially at low temperatures. Therefore, understanding the nanoscale crystal structure dynamics in situ is crucial to achieving high proton transport, material stability, and extending the operating range of proton‐conducting solid oxides. Here, Bragg coherent X‐ray diffractive imaging is applied to investigate in situ and in 3D nanoscale dynamics in BZY during hydration over 40 h at 200 °C, in the low‐temperature range. An unexpected activity of topological defects and subsequent cracking is found on a nanoscale covered by the macroscale stability. The rearrangements in structure correlate with emergent regions of different lattice constants, suggesting heterogeneous hydration. The results highlight the extent and impact of nanoscale processes in proton‐conducting solid oxides, informing future development of low‐temperature protonic ceramic electrochemical cells.

25 ENERGY STORAGE↗
DOE OSTI2023

Explainable machine learning for hydrogen diffusion in metals and random binary alloys

Hydrogen diffusion in metals and alloys plays an important role in the discovery of new materials for fuel cell and energy storage technology. While analytic models use hand-selected features that have clear physical ties to hydrogen diffusion, they often lack accuracy when making quantitative predictions. Machine learning models are capable of making accurate predictions, but their inner workings are obscured, rendering it unclear which physical features are truly important. To develop interpretable machine learning models to predict the activation energies of hydrogen diffusion in metals and random binary alloys, we create a database for physical and chemical properties of the species and use it to fit six machine learning models. Our models achieve root-mean-squared errors between 98–119 meV on the testing data and accurately predict that elemental Ru has a large activation energy, while elemental Cr and Fe have small activation energies. By analyzing the feature importances of these fitted models, we identify relevant physical properties for predicting hydrogen diffusivity. While metrics for measuring the individual feature importances for machine learning models exist, correlations between the features lead to disagreement between models and limit the conclusions that can be drawn. Instead grouped feature importance, formed by combining the features via their correlations, agree across the six models and reveal that the two groups containing the packing factor and electronic specific heat are particularly significant for predicting hydrogen diffusion in metals and random binary alloys. In conclusion, this framework allows us to interpret machine learning models and enables rapid screening of new materials with the desired rates of hydrogen diffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hydrogen Storage System Cost Analysis (2017-2021) (Final Report)

This final technical report summarizes hydrogen storage system cost analysis results from 2017-2021. Results include onboard hydrogen storage system costs for light-duty vehicles, medium-duty vehicles, heavy-duty vehicles, class 8 long haul trucks, and passenger buses. Multiple storage systems are included, primarily focusing on compressed and cryo-compressed hydrogen in Type 3 and Type 4 storage systems. Additional analysis includes large-scale gaseous and liquid hydrogen storage at refueling stations in tube trailers and Dewars; advanced materials-based storage systems such as metal organic frameworks and metal hydrides; and a baseline setting analysis of compressed natural gas storage systems in support of the Institute for Advanced Composites Manufacturing Initiative (IACMI). Analyses were primarily conducted using a Design for Manufacture and Assembly ® methodology, which is a bottom-up process-based approach to estimating factory costs. Multiple annual production rates are reported to project high-volume costs relevant to mature markets.

08 HYDROGEN↗
DOE OSTI2025

Graphene Activated Magnesium Diboride for Moderate Pressure and Temperature Hydrogenation to Magnesium Borohydride

The hydrogenation conditions of magnesium diboride (MgB2) to magnesium borohydride (Mg(BH4)2) can be significantly enhanced through the discovery of improved modifiers. This study demonstrates that the modification of MgB2 by mechanical milling with graphene nanoplatelets significantly reduces the hydrogenation conditions of MgB2 from 900 bar and 400 degrees C for pure MgB2 to 400 bar and 300 degrees C while achieving 77% conversion to Mg(BH4)2. The introduction of the graphene additives coupled with milling leads to a reduction of the temperature and pressure required for bulk hydrogenation by 100 degrees C and 500 bar, respectively, from that of pure MgB2. The identification of graphene additives that drastically improve the hydrogenation conditions of MgB2 represents an important step toward improving hydrogen uptake kinetics to Mg(BH4)2.

complex hydrides↗
DOE OSTI2022

KOH vs Deionized Water Operation in Anion Exchange Membrane Electrolyzers

Anion exchange membrane water electrolyzers (AEMELs) have recently received significant attention due to their potential advantages over proton exchange membrane electrolyzers (PEMELs). However, some AEMELs feed an aqueous salt solution to the cell where PEMELs typically feed deionized (DI) water. DI water is preferred to keep the system and maintenance costs low. Because of this, many AEMEL researchers report performance both in the salt solution (typically KOH) and DI water. However, the methodology for switching between KOH and DI water is often poorly defined, and it is unclear what impact the residual salt has on cell performance after switching from salt to DI water. Having a fully deionized environment is important because the presence of salts in the water feed increase the effective electrochemical surface area of the catalyst in the three-dimensional electrode and residual salt remaining after switching to DI water feed can have a misleading transient effect on cell performance. This paper focuses on understanding the transition from KOH to DI water testing in AEMELs. It is shown that when switching from salt to DI water feed, a large volume of DI water must be fed over several hours to achieve true DI-water performance. It is also shown that starting AEMELs from the beginning with DI water feed (without any KOH ever being fed to the cell) results in better cell durability. Lastly, a cell is demonstrated having operated exclusively on DI water at 1.0 A cm −2 for 500 h at an operating voltage of ca. 2 V and a low degradation rate.

08 HYDROGEN↗
DOE OSTI2020

Vehicle Technologies Office Research and Development Program, Prospective Benefits Assessment Report for FY 2020

Under the U.S. Department of Energy’s (DOE’s) Office of Energy Efficiency and Renewable Energy, the Vehicle Technologies Office (VTO) invests in research on technologies and innovations, including advanced batteries and electrification; engines and fuels, materials, and energy-efficient mobility systems; hydrogen production, delivery, and storage; and fuel cells. This report documents the estimated benefits of successfully developing and implementing these technologies (the “Program Success” case) relative to a base case (the “No Program” case). The Program Success case represents a future with successful implementation of VTO technologies. The No Program case represents a future in which there is no contribution after Fiscal Year (FY) 2020 by VTO to these technologies. Results presented here are not intended to be predictions. Instead, they represent possible future market outcomes, predicated on assumed technological progress and other future conditions.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Surface-Controlled Conversion of Ammonia Borane from Boron Nitride

“One-pot regeneration”, which is simple regneneration method of ammonia borane (AB) using hydrazine and liquid ammonia, enables conversion of AB from hexagonal boron nitride (h-BN) after milling hydrogenation. Solution 11 B-NMR revealed the presence of AB after NH 3 /N 2 H 4 treatment of milled h-BN (BNH x ) although the yield of AB was less than 5%. The conversion mechanism was clarified as B-H bonds on the h-BN surface created by ball-milling under hydrogen pressure have an ability to form AB, which was confirmed by Thermogravimetry-Residual Gas Analysis (TG-RGA) and Infrared (IR) analysis. The reaction routes are also the same as regeneration route of polyborazylene because intermediates of AB such as (B(NH 2 ) 3 and hydrazine borane were found by solution 11 B-NMR after soaking BNH x in liquid NH 3 and hydrazine, respectively. Because of the fact that all reactions proceed on the h-BN surface and no reaction proceeds when neat h-BN is treated, breaking of B 3 N 3 ring structure and then creation of B-H bond is the key issue to increase conversion yield of AB.

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

Hydrogen Blending into Natural Gas Pipeline Infrastructure: Review of the State of Technology

Hydrogen is an energy carrier that could play an important role in reducing emissions associated with difficult-to-decarbonize sectors including peaking and load-following electricity and industrial heating. Blending hydrogen into the natural gas pipelines has been proposed as an approach for achieving near-term emissions reductions and early-market access for hydrogen technologies such as electrolyzers. Numerous challenges and uncertainties complicate this approach to natural gas decarbonization, however, and this review summarizes current research on the material, economic, and operational factors that must be considered for hydrogen blending. First, this review explores previous research regarding the effects of blending hydrogen on gas mixture fluid and thermodynamic properties, pipeline materials and equipment performance within transmission and distribution networks, and supporting facilities such as underground storage and end-use hydrogen separation. We also investigate and summarize studies that developed mathematical models of natural gas pipeline networks with hydrogen blending, and the operational and techno-economic findings of these network studies. Finally, we discuss notable hydrogen blending demonstrations and their key outcomes. Many blending demonstrations internationally have proven that low hydrogen percentage blending is feasible under very specific scenarios with limited end-usage applications on both high-pressure transmission lines and low-pressure distribution lines. This report summarizes findings from literature into key areas of consensus and disagreement. Research gaps and disagreements between the literature are highlighted to provide directions for future hydrogen blending research.

03 NATURAL GAS↗
NASA NTRS2005

Considerations for Storage of High Test Hydrogen Peroxide (HTP) Utilizing Non-Metal Containers

When working with high concentrations of hydrogen peroxide, it is critical that the storage container be constructed of the proper materials, those which will not degrade to the extent that container breakdown or dangerous decomposition occurs. It has been suggested that the only materials that will safely contain the peroxide for a significant period of time are metals of stainless steel construction or aluminum use as High Test Hydrogen Peroxide (HTP) Containers. The stability and decomposition of HTP will be also discussed as well as various means suggested in the literature to minimize these problems. The dangers of excess oxygen generation are also touched upon.

Moore, Robin E.↗
NASA NTRS1979

Storage, transmission and distribution of hydrogen

Current practices and future requirements for the storage, transmission and distribution of hydrogen are reviewed in order to identify inadequacies to be corrected before hydrogen can achieve its full potential as a substitute for fossil fuels. Consideration is given to the storage of hydrogen in underground solution-mined salt caverns, portable high-pressure containers and dewars, pressure vessels and aquifers and as metal hydrides, hydrogen transmission in evacuated double-walled insulated containers and by pipeline, and distribution by truck and internal distribution networks. Areas for the improvement of these techniques are indicated, and these technological deficiencies, including materials development, low-cost storage and transmission methods, low-cost, long-life metal hydrides and novel methods for hydrogen storage, are presented as challenges for research and development.

Kelley, J. H.↗
DOE OSTI2021

Graphene oxide/metal nanocrystal multilaminates the atomic limit for safe, selective hydrogen storage

Various embodiments of the invention describe an environmentally stable, and exceptionally dense hydrogen storage (6.5 wt % and 0.105 kg H2/L in the total composite, 7.56 wt % in Mg) using atomically thin and gas-selective reduced graphene oxide sheets as encapsulants. Other approaches to protecting reactive materials involve energy intensive introduction of considerable amounts of inactive, protective matrix which compromises energy density. However, these multilaminates are able to deliver exceptionally dense hydrogen storage far-exceeding 2020 DOE target metrics for gravimetric capacity (5.5 wt %), and ultimate full-fleet volumetric targets (0.070 kg H 2 /L) for fuel cell electric vehicles. Methods of stabilizing reactive nanocrystalline metals in zero-valency also has wide-ranging applications for batteries, catalysis, encapsulants, and energetic materials.

Urban, Jeffrey J.↗