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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

HydroGEN Overview: A Consortium on Advanced Water Splitting Materials

HydroGEN (https://www.h2awsm.org/) Energy Materials Network (EMN) is an U.S. Department of Energy (DOE) EERE Hydrogen and Fuel Cell Technologies Office (HFTO)-funded consortium that aims to accelerate the discovery and development of advanced water splitting materials (AWSM) for clean, low-cost hydrogen production. This is in line with the H2@Scale initiative (https://www.energy.gov/eere/fuelcells/h2-scale), with the goal to meet U.S. DOE's Hydrogen Shot production cost target of $1/kg H2 within 1 decade. Materials innovations are key to enhancing performance, durability, and cost of hydrogen generation technologies. Large scale, low cost hydrogen from diverse domestic resources can enable an economically competitive and environmentally beneficial future energy system across multiple sectors. HydroGEN is focused on low technology readiness level AWS technologies, including low- (alkaline exchanged membrane electrolysis) and high-temperature electrolysis (proton-conducting solid oxide electrolysis), photoelectrochecmical (PEC) and solar thermochemical (STCH) water splitting. This presentation will provide an overview of the HydroGEN EMN and technical highlights of a few lab-led and FOA-awarded R&D projects. HydroGEN continues to grow its community of industry, university, and national laboratories, forming a national innovation ecosystem focused on renewable hydrogen production.

clean hydrogen↗
DOE OSTI2024

An in-situ view cell system for investigating swelling behavior of elastomers upon high-pressure hydrogen exposure

The transition to hydrogen as a clean and efficient energy carrier is impeded by challenges in the compatibility of hydrogen with materials used within hydrogen infrastructure. Elastomers, crucial in sealing components, often exhibit premature failures in high-pressure hydrogen environments due to excessive swelling. This study employs an innovative in-situ view cell system to assess the swelling behavior of hydrogenated nitrile butadiene rubber (HNBR) under various hydrogen conditions. The system, designed to withstand pressures up to 96.5 MPa, incorporates Digital Image Correlation (DIC) for strain measurements and volume estimation. Results reveal non-linear volume increases during depressurization, challenging conventional assumptions. Furthermore, investigations into peak hydrogen pressures and pressure-holding scenarios during decompression highlight complex swelling trends. The introduction of a novel computer vision (CV) method enhances precision in volume estimation, overcoming DIC limitations. The study provides insights into mitigating elastomer swelling, crucial for developing robust materials to support future hydrogen-driven energy systems.

Elastomer↗
DOE OSTI2024

Roles of kaolinite-oil-gas molecular interactions in hydrogen storage within depleted reservoirs

Hydrogen is a clean alternative to fossil fuels, emitting only water vapor during combustion. In a future hydrogen economy, large-scale storage will be an important component of the supply chain. Due to its low volumetric density, conventional surface storage methods are inadequate. Underground hydrogen storage (UHS) offers a viable solution, enabling the storage of millions of cubic meters. Among potential geological sites, including salt caverns, aquifers, and depleted gas reservoirs, depleted oil reservoirs show promise. Studying hydrogen interactions with residual oil and reservoir minerals is vital for understanding the properties of hydrogen and the reservoir post-injection. In this work, we employed molecular dynamics simulations to gain molecular-level insights into these interactions. We investigated hydrogen dissolution in oil, adsorption at kaolinite/oil interfaces, the role of CO 2 as a cushion gas, and the influence of kaolinite’s hydrophobicity on H 2 behavior. The main findings include: (1) hydrogen dissolves more in oil than in water, (2) the introduction of CO 2 suppresses hydrogen dissolution in oil and reduces the interfacial tension (IFT) between oil and gas, (3) CO 2 decreases H 2 partitioning near kaolinite surfaces due to its strong affinity for the hydrophilic gibbsite surface of kaolinite, and (4) CO 2 is more effective than H 2 in reducing IFT between kaolinite and the oil–gas mixture. These findings emphasize the effectiveness of CO 2 as a cushion gas and the important role of clay hydrophobicity in UHS, providing insights that are challenging to obtain experimentally.

08 HYDROGEN↗
DOE OSTI2020

A Beehive Inspired Hydrogen Photocatalytic Device Integrating a Carbo–Benzene Triptych Material for Efficient Solar Photo–Reduction of Seawater

The dream to produce green, clean and sustainable hydrogen from earth-abundant and free resources such as seawater and sunlight is highly motivating because of the interest for desirable economical and societal applications in energy. However, it remains challenging to develop an efficient and unassisted photocatalytic device to split seawater molecules with just sunlight without any external bias. For the first time, a such novel hierarchical material has been developed, based on thin film technology that integrates TiO 2 semiconductor layers, embedded gold nanoparticles and a photosensitive carbo-benzene layer. The design of the triptych device placing the photocatalyst in be-to-be increases the photoactive surface area by a factor 2. Its stability (>120 successive hours of hydrogen production and >5 days in a day/night representative alternation) and efficiency (STH 0.06%) are measured in NaCl-salted water. Here, the chloride ions act as hole scavengers and induce an increase of pH increasing in turn the sun-driven hydrogen production rate.

42 ENGINEERING↗
DOE OSTI2025

Revealing Phase Heterogeneity in Vertically Aligned Nanocomposites via Plan-View Electron Energy Loss Spectroscopy

Hydrogen utilization in clean energy technologies is challenged by limited storage and transport within materials, owing to the complex hydrogen kinetics at interfaces [1]. Understanding these interfacial mechanisms at the nanoscale is crucial for developing improved materials for hydrogen applications, particularly proton-conducting fuel cells (PCFCs). Vertically aligned nanocomposites (VANs) grown by pulsed laser deposition (PLD) offer a unique platform for investigating the interfacial effects on hydrogen transport due to their well-defined interfaces parallel to the direction of charge transport [2-4]. To investigate hydrogen transport, the two phases within the VANs were chosen as BaZr 0.9 Y 0.1 O 3-x (BZY), a known proton conductor, and Pr 0.1 Ce 0.9 O 2-x (PCO), a mixed ionic-electronic conductor [5]. This PCO-BZY VANs architecture allows the investigation of how the interface between a proton conductor and a mixed conductor influences hydrogen transport. However, because of the small size of hydrogen, it is difficult to discern the nature of its interactions with interfaces from bulk measurements at the macroscale, thus necessitating nanoscale measurements [6]. Electron energy loss spectroscopy (EELS) allows for nanometer-resolution probing of the local atomic structure and chemistry at the BZY/PCO interface. In this study, plan-view analysis of PCO-BZY VANs films was employed to characterize the structure and phase distribution of the VANs and investigate the interface between the nanostructures. The films were imaged using scanning electron microscopy (SEM) in the Hitachi S-4800 SEM, collecting secondary electron images using mixed upper and lower detectors. Then, plan-view transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) EELS were employed using a JEOL ARM300 microscope operated at 300kV with a Gatan K3 GIF Continuum detector to study the distribution of the BZY and PCO phases through the film. As a result, spectrum images were acquired at a dispersion of 0.18eV per channel and denoised afterward by principal component analysis (PCA) method.

Griffin, Elizabeth [Northwestern University, Evans↗
DOE OSTI2024

Iron-sandstone synergy: Advancing in-situ hydrogen production from natural gas via electromagnetic heating

Here, to address the escalating demands for decarbonization in the petroleum industry, a carbon-zero technology, known as in-situ hydrogen (H 2 ) production via electromagnetic (EM)-assisted catalytic heating, has recently been proposed for generating and extracting clean H 2 directly from petroleum reservoirs. Although preliminary techno-economic analyses show significant potential of this emerging technology for clean and affordable hydrogen, the fundamentals of natural gas conversion to H 2 in the presence of reservoir rocks are poorly understood. In this study, we explore the synergy between sandstone and artificial iron-based catalysts in enhancing in-situ H 2 production from methane (CH 4 ) cracking under EM irradiation. The dynamic behaviors of sandstone under EM heating are comprehensively investigated, including its thermal behaviors, thermal runaway (TR) phenomenon, gas generation during TR, and energy consumption. We found that sandstone demonstrates an evident natural catalytic effect for promoting CH 4 conversion to H 2 , enabling H 2 production starting at about 394 °C. The natural catalytic role of iron minerals in sandstone is elucidated using various advanced characterization techniques. Remarkably, when adding iron catalysts into the sandstone, the highest H 2 concentration and CH 4 conversion reaches 91 mol.% and 80%, respectively, at a temperature of 666 °C, while they are 50 mol.% and 35%, respectively, for the sample consisting of iron catalysts and quartz at the same level of temperature. This result indicates a strong iron-sandstone synergy and a potential to stimulate H 2 production by leveraging this synergy. Throughout the experimental process, the generation of carbon oxides (CO and CO 2 ) is negligible. These findings pave a pathway towards future pilot for carbon-zero in-situ H 2 production from sandstone gas reservoirs.

03 NATURAL GAS↗
DOE OSTI2021

Integrating computation and experiment to investigate photoelectrodes for solar water splitting at the microscopic scale.

CONSPECTUS: Photoelectrochemical water-splitting is a promising and sustainable way to store the energy of the sun in chemical bonds and use it to produce hydrogen gas, a clean fuel. The key components in photoelectrochemical cells (PECs) are photoelectrodes, including a photocathode that reduces water to hydrogen gas and a photoanode that oxidizes water to oxygen gas. Materials used in photoelectrodes for PECs must effectively absorb sunlight, yield photogenerated carriers, and exhibit electronic properties that enable the efficient shuttling of carriers to the surface to participate in relevant water-splitting reactions. Discovering and understanding the key characteristics of optimal photoelectrode materials is paramount to the realization of PEC technologies. Oxide-based photoelectrodes can satisfy many of these materials requirements, including stability in aqueous environments, band edges with reasonable alignment with the redox potentials for water splitting, and ease of synthesis. However, oxide photoelectrodes generally suffer from poor charge transport properties and considerable bulk electron-hole separation, and they have relatively large band gaps. Numerous strategies have been proposed to improve these aspects and understand how these improvements are reflected in the photoelectrochemical performance. Unfortunately, the structural and compositional complexity of multinary oxides accompanied by the inherent complexity of photoelectrochemical processes makes it challenging to understand the individual effects of composition, structure, and defects in the bulk and on the surface on a material's photoelectrochemical properties. The integration of experiment and theory has great potential to increase our atomic-level understanding of structure-composition-property relationships in oxide photoelectrodes. In this Account, we describe how integrating experiment and theory is beneficial for achieving scientific insights at the microscopic scale. We highlight studies focused on understanding the role of (i) bulk composition via solid-state solutions, intercalation, and comparison with isoelectronic compounds, (ii) dopants for both the anion and cation and their interactions with oxygen vacancies, and (iii) surface/interface structure in the photocurrent generation and photoelectrochemical performance in oxide photoelectrodes. In each instance, we outline strategies and considerations for integrating experiment and theory and describe how this integration led to valuable insights and new directions in uncovering structure-composition-property relationships. Our aim is to demonstrate the unique value of combining experiment and theory in studying photoelectrodes and to encourage the continued effort to bring experiment and theory in closer step with each other.

Wang, Wennie↗
DOE OSTI2021

Sub-second and ppm-level optical sensing of hydrogen using templated control of nano-hydride geometry and composition

Abstract The use of hydrogen as a clean and renewable alternative to fossil fuels requires a suite of flammability mitigating technologies, particularly robust sensors for hydrogen leak detection and concentration monitoring. To this end, we have developed a class of lightweight optical hydrogen sensors based on a metasurface of Pd nano-patchy particle arrays, which fulfills the increasing requirements of a safe hydrogen fuel sensing system with no risk of sparking. The structure of the optical sensor is readily nano-engineered to yield extraordinarily rapid response to hydrogen gas (<3 s at 1 mbar H 2 ) with a high degree of accuracy (<5%). By incorporating 20% Ag, Au or Co, the sensing performances of the Pd-alloy sensor are significantly enhanced, especially for the Pd 80 Co 20 sensor whose optical response time at 1 mbar of H 2 is just ~0.85 s, while preserving the excellent accuracy (<2.5%), limit of detection (2.5 ppm), and robustness against aging, temperature, and interfering gases. The superior performance of our sensor places it among the fastest and most sensitive optical hydrogen sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Acceleration of Pd-V intermetallic diffusion by hydrogen

Vanadium-based membranes have great potential for hydrogen purification due to their perfect selectivity, high permeability, and relatively low cost. With appropriate surface cleaning, V efficiently permeates hydrogen at elevated temperature, but performance declines due to its affinity to absorb impurities. Here, the application of palladium thin films maintains a clean surface that catalyzes hydrogen dissociation and recombination. Hydrogen permeation in Pd-V-Pd membranes initially reach theoretical permeability, but declines due to Pd-V interdiffusion. The objective of this work was to quantify the intermetallic diffusion process as a function of temperature and ambient. Pd-V composites were subjected to various annealing treatments and characterized using Auger electron spectroscopy, X-ray diffraction, and energy dispersive X-ray spectroscopy, as well as correlated to measurements of membrane permeability. In an inert environment Pd-V interdiffusion was observable as low as 300 °C, and the diffusion coefficient had an activation energy of 44 kJ/mol. Furthermore, the presence of hydrogen at partial pressures > 10 kPa accelerated interdiffusion six-fold at T = 400 °C. Membrane performance degraded with an activation energy 75 kJ/mol, suggesting that intermetallic diffusion leads to both a loss of catalytic activity and as well as degradation of bulk permeability. These findings provide a baseline for evaluating hydrogen permeable interdiffusion barriers to overcome these challenges.

08 HYDROGEN↗
DOE OSTI2022

Porous materials for hydrogen storage

Hydrogen is a clean energy carrier and a promising candidate to realize carbon-neutral systems for a sustainable future because the combustion of hydrogen produces only water. The large-scale implementation of hydrogen, particularly in zero-emission hydrogen-powered fuel-cell automobiles, requires efficient hydrogen storage systems; however, the current on-board hydrogen storage technologies mainly rely on costly and potentially unsafe high-pressure compression strategies that reach pressures of up to 700 bar. Recently, solid-state porous materials, such as metal-organic frameworks, have emerged as sorbents that can conceivably store comparable amounts of hydrogen in a safer and more efficient manner relative to the current high-pressure storage technologies. Here this review summarizes the current progress on the development of state-of-the-art porous materials and their composites for hydrogen storage. We hope this work will inspire efforts toward creating next-generation hydrogen storage materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Characterization of a selective, zero power sensor for distributed sensing of hydrogen in energy applications

The use of hydrogen as a clean and renewable energy source is increasing rapidly for both vehicle and stationary applications. There are safety concerns for the locations in which hydrogen is made, used, and transported (i.e., pipelines and tanker trucks). Sensors are needed to comply with safety regulations and to enable a smooth and safe rollout of hydrogen as an alternative energy. However, hydrogen sensors do not yet exist that have the combined features of small size and low power for easy deployment coupled with high-volume manufacturability and low cost. This is necessary to accommodate the emerging fixed and mobile markets while retaining critical metrological metrics, including measurement range, detection limits, selectivity, fast response, stability, and long lifetime. An amperometric gas sensor for hydrogen (AGS) has been developed using an innovative manufacturing method. The sensor was designed using scalable fabrication strategies based on “Printed Electronics” (PE) methodology which are compatible with large-scale production. Prototype sensors were batch fabricated with multiple individual elements on a substrate compatible in size with a standard 8-inch wafer to enable high-volume, low-cost manufacturing, thereby leveraging PE and semiconductor fabrication infrastructure. This novel AGS was instrumented with control circuitry and evaluated for hydrogen detection in the range of 0–5000 ppmv H2 in air. Specific performance evaluations included assessment of the sensor measurement range, repeatability, and selectivity.

08 HYDROGEN↗
DOE OSTI2025

A Reduced-Temperature Process for Preparing Atomically Clean Si(100) and SiGe(100) Surfaces with Vapor HF

Silicon processing techniques such as atomic precision advanced manufacturing (APAM) and epitaxial growth require surface preparations that activate oxide desorption (typically >1000 °C) and promote surface reconstruction toward atomically clean, flat, and ordered Si(100)-2 × 1. Here, in this study, we compare the aqueous and vapor phase cleaning of Si and Si/SiGe surfaces to prepare APAM-ready and epitaxy-ready surfaces at lower temperatures. Angle resolved X-ray photoelectron spectroscopy (ARXPS) and Fourier transform infrared (FTIR) spectroscopy indicate that vapor hydrogen fluoride (VHF) cleans dramatically reduce carbon surface contamination and allow the chemically prepared surface to reconstruct at lower temperatures, 600 °C for Si and 580 °C for a Si/Si 0.7 Ge 0.3 heterostructure, into an ordered atomic terrace structure indicated by scanning tunneling microscopy (STM). After thermal treatment and vacuum hydrogen termination, we demonstrate STM hydrogen desorption lithography (HDL) on VHF-treated Si samples, creating reactive zones that enable area-selective chemistry by using a thermal budget similar to CMOS process flows. We anticipate that these results will establish new pathways to integrate APAM with Si foundry processing.

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

R&D Effort of Geologic Hydrogen Production at the National Renewable Energy Lab (NREL)

Geologic hydrogen (geoH2) is an emerging technology with massive current market interest and distinct potential to change the paradigm of hydrogen production. Two major subsurface processes influence the amount of geoH2 that are available for energy extraction: 1) geochemical reactions of H2O and Fe2+-bearing rocks which can produce hydrogen in the subsurface environment, where 2) various active microbial communities consume hydrogen as an energy source before the hydrogen reaches the surface. The net gain of hydrogen from these two competing processes dictates the production rate of geoH2. A recent study (Templeton et al., 2024) suggested that for most natural geoH2 systems, five orders of magnitude of production rate enhancement are needed to make geoH2 production economical in the near term. Effective enhancement of the production rate requires an in-depth understanding of the two geoH2 processes, in order to promote the H2-generating geochemical processes and suppress the H2-consuming microbial processes. However, current significant knowledge gaps in these two processes hinders the efforts to formulate strategies to enhance geoH2 production. The National Renewable Energy Laboratory (NREL) is a U.S. Department of Energy National Laboratory with the core mission of leading research, innovation, and strategic partnership to deliver solutions for a clean energy based economy. NREL's extensive research portfolio in hydrogen, bioenergy, geothermal, industrial decarbonization, and energy analysis makes us well positioned to conduct interdisciplinary research and facilitate technology deployment in the geoH2 space. In this presentation, we will discuss ongoing geoH2 research and engagement efforts at NREL, including: 1) geochemical investigation to understand the reaction mechanisms and production rate and potential of different source minerals and rocks, 2) microbiological investigation to understand methanogenesis and acetogenesis in the subsurface geoH2 environment, and identify effective inhibitors for these microbial processes, and 3) preliminary analysis for geoH2 production in the State of Minnesota, where abundant Fe-rich rocks for stimulated geoH2 production and ample opportunity to utilize geoH2 in transforming iron and steel industries are currently available.

08 HYDROGEN↗
DOE OSTI2022

Harnessing selenocysteine to enhance microbial cell factories for hydrogen production

Hydrogen is a clean, renewable energy source, that when combined with oxygen, produces heat and electricity with only water vapor as a biproduct. Furthermore, it has the highest energy content by weight of all known fuels. As a result, various strategies have engineered methods to produce hydrogen efficiently and in quantities that are of interest to the economy. To approach the notion of producing hydrogen from a biological perspective, we take our attention to hydrogenases which are naturally produced in microbes. These organisms have the machinery to produce hydrogen, which when cleverly engineered, could be useful in cell factories resulting in large production of hydrogen. Not all hydrogenases are efficient at hydrogen production, and those that are, tend to be oxygen sensitive. Therefore, we provide a new perspective on introducing selenocysteine, a highly reactive proteinogenic amino acid, as a strategy towards engineering hydrogenases with enhanced hydrogen production, or increased oxygen tolerance.

08 HYDROGEN↗
DOE OSTI2023

Modeling and optimization of steady flow of natural gas and hydrogen mixtures in pipeline networks

Here, we extend the canonical problems of simulation and optimization of steady-state gas flows in pipeline networks with compressors to the transport of mixtures of highly heterogeneous gases injected throughout a network. Our study is motivated by proposed projects to blend hydrogen generated using clean energy into existing natural gas pipeline systems as part of efforts to reduce the reliance of energy systems on fossil fuels. Flow in a pipe is related to endpoint pressures by a basic Weymouth equation model, with an ideal gas equation of state, where the wave speed depends on the hydrogen concentration. At vertices, in addition to mass balance, we also consider mixing of incoming flows of varying hydrogen concentrations. The problems of interest are the heterogeneous gas flow simulation (HGFS), which determines system pressures and flows given fixed boundary conditions and compressor settings, as well as the heterogeneous gas flow optimization (HGFO), which extremizes an objective by determining optimal boundary conditions and compressor settings. We examine conditions for uniqueness of solutions to the HGFS, as well as compare and contrast mixed-integer and continuous nonlinear programming formulations for the HGFO. We develop computational methods to solve both problems, and examine their performance using four test networks of increasing complexity.

08 HYDROGEN↗
DOE OSTI2024

Development of 250 kW Ammonia and Hydrogen Industrial Burner Test Facility at the National Energy Technology Laboratory

In an effort to investigate the viability of ammonia and hydrogen as fuels in the industrial heating sector, the Department of Energy’s National Energy Technology Laboratory is developing a 250 kW burner test facility. The pursuit of a decarbonized industrial heating sector requires innovative approaches to convert existing assets to alternative fuels while maintaining adequate radiative heat transfer and limiting NOx. This new capability will leverage NETL’s experience and prior investments in ammonia and hydrogen combustion, to advance atmospheric pressure industrial combustion systems for industries such as cement kilns and glass factories. The intention in coming years is to collaborate with burner manufacturers and heavy industry partners to study, develop, and validate strategies for converting existing hardware from carbon-based fuels to next-generation clean ammonia and hydrogen technologies.

May, Kristyn Johnson↗
DOE OSTI2022

Electron doping of NdNiO 3 thin films using dual chamber CaH 2 annealing

Hydrogen donor doping has been exploited as a strategy to manipulate the electronic structure and electrical properties of functional oxide systems. Especially, the development of synthetic methods to achieve electron doping of perovskite rare-earth nickelate thin films utilizing interstitial hydrogen is highly desirable considering the rich electronic phase diagram hosting several functional properties. Here, in this work, we present the hydrogenation of NdNiO 3 (NNO) thin films using CaH 2 annealing and the resulting giant modulation of electrical resistivity in hydrogenated NNO (H–NNO) thin films. Magnetron sputtering was employed to deposit epitaxial ~60 nm-thin NNO films on single crystal LaAlO 3 (LAO) substrates. The formation of the pristine perovskite NNO phase was realized after annealing the films at 500 °C for 24 h. CaH 2 annealing of NNO thin films for time durations ranging from 1 to 6 h was performed in a vacuumed ampule with two interconnected chambers at 280 °C. The two-chamber design enables a simple and clean approach for hydrogen doping without physical contact between the powder and sample of interest. X-ray diffraction and Raman spectroscopy revealed the formation of NNO in pristine samples, and the subsequent hydrogen incorporation upon CaH 2 annealing without forming any impurity phases. The conversion of the oxidation state of Ni towards +2 upon CaH 2 annealing was probed using X-ray photoelectron spectroscopy and X-ray absorption spectroscopy. Consequently, a substantial increase in the room-temperature resistivity was observed upon CaH 2 annealing indicating the formation of a strongly correlated electronic configuration of Ni in H–NNO due to electron doping. Overall, the findings of this study highlight the versatility of CaH 2 annealing as an electron doping method to tune the electrical properties of correlated oxides at low temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗