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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Geologic hydrogen: From natural occurrences to anthropogenic generation – A review of fundamentals, potential, challenges and prospects

Growing demand for hydrogen is exposing the environmental and economic limits of reforming-based and carbon-managed supply chains, while the scale-up of electrolytic capacity remains capital-constrained. Geologic hydrogen, defined as molecular H₂ generated and stored within the Earth's crust offers a complementary, potentially lower-cost resource, yet exploration is still ad hoc. This review (1) revisits a global inventory of confirmed hydrogen seeps and subsurface occurrences; (2) analyzes the controlling reactions, migration pathways, and trapping conditions governing these occurrences; (3) proposes a process-based geologic hydrogen system concept analogous to, yet distinct from, the petroleum system; and (4) evaluates potential geologic hydrogen systems within the United States as a representative case study. Here, we contrast natural systems powered by serpentinization, mantle degassing or radiolysis with anthropogenic systems that stimulate the same reactions or convert in-situ hydrocarbons. Stable hydrogen accumulations require generation rates that outpace combined physical, chemical and microbial losses; the Bourakébougou field (Mali) exemplifies a self-recharging, free-gas reservoir sustained by meteoric-water serpentinization beneath an efficient caprock. Prospective geologic hydrogen resources are likely to occur in regions where iron-rich lithologies, deep-seated faults, and low-permeability sealing formations coexist. Applying this principle, we highlight three promising hydrogen play types in U.S. geological terrains: ophiolite belts (Appalachian and Californian regions), the Midcontinent Rift and the Lake Superior banded‑iron formations. Multiphysics numerical models and positive-unlabeled machine-learning workflows help to accelerate play screening and de-risk future production; yet, reaction kinetics, stimulation strategies, and full techno-economic and life-cycle assessments remain pivotal knowledge gaps.

Anthropogenic hydrogen generation↗
DOE OSTI2021

Ultrasound-driven fabrication of high-entropy alloy nanocatalysts promoted by alcoholic ionic liquids

High-entropy alloy nanoparticles (HEA-NPs) are highly underutilized in heterogeneous catalysis due to the absence of a reliable, sustainable, and facile synthetic method. Herein, we report a facile synthesis of HEA nanocatalysts realized via an ultrasound-driven wet chemistry method promoted by alcoholic ionic liquids (AILs). Owing to the intrinsic reducing ability of the hydroxyl group, AILs were synthesized and utilized as environmentally friendly alternatives to conventional reducing agents and volatile organic solvents in the synthetic process. Under high-intensity ultrasound irradiation, Au 3+ , Pd 2+ , Pt 2+ , Rh 3+ , and Ru 3+ ions were co-reduced and transformed into single-phase HEA (AuPdPtRhRu) nanocrystals without calcination. Characterization results reveal that the as-synthesized nanocrystals are composed of elements of Au, Pd, Pt, Rh, and Ru as expected. Compared to the monometallic counterparts such as Pd-NPs, the carbon-supported HEA nanocatalysts show superior catalytic performance for selective hydrogenation of phenol to cyclohexanone in terms of yield and selectivity. Our synthetic strategy provides an improved and facile methodology for the sustainable synthesis of multicomponent alloys for catalysis and other applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Recyclable Design for Retaining High Solar Absorptivity of the Media in CSP

Efficient thermal energy storage is pivotal to lowering the levelized cost of electricity (LCOE) for Concentrating Solar Power (CSP) plants. In solid-particle systems, however, prolonged high-temperature service degrades particle solar absorptivity, eroding overall efficiency. This project demonstrates a hydrogen-assisted recovery process that reliably restores absorptivity to >90 %, offering a practical route to sustain long-term CSP performance. Bench-scale investigations mapped the reduction kinetics of optically faded particles across hydrogen concentrations, temperatures, and residence times. Coupling mass-spectrometric monitoring with machine-learning optimization minimized energy demand while maximizing absorptivity gain. The resulting process window—moderate hydrogen partial pressures, 15–30 min dwell times, and temperatures well below initial calcination levels—cuts energy consumption well below that of incumbent re-blackening methods. A prototype recovery reactor processed multiple 2 kg batches with repeatable outcomes, confirming scalability and operational robustness. Integrated techno-economic analysis indicates material and operating cost reductions exceeding 15 % relative to conventional particle replacement or chemical re-coating, translating directly into lower LCOE for next-generation CSP facilities. By uniting fundamental reaction-kinetics insight with pragmatic engineering, this work advances the solid-particle pathway, delivering a cost-effective, field-deployable solution to one of CSP’s key durability challenges and strengthening the commercial outlook for high-temperature renewable power.

14 SOLAR ENERGY↗
DOE OSTI2026

Electronegativity-Guided Site Differentiation in High-Entropy Alloy for pH-universal Hydrogen Evolution Reactions

Enhancing the intrinsic activity of transition metal catalysts for the hydrogen evolution reaction (HER) remains a critical challenge in sustainable energy conversion. Herein, we report an electronegativity-guided site differentiation strategy in a single-phase CoNiCuMoW high-entropy alloy (HEA) via electrodeposition by incorporating high-electronegativity 4d/5d orbital transition metals (Mo, W) into the face-centered cubic (fcc) matrix (CoNiCu). The as-synthesized HEA demonstrates exceptional HER performance in all pH conditions, delivering an outstanding overpotential of 65 mV (alkaline), 28 mV (acidic), and 155 mV (neutral) at a current density of 100 mA cm−2, showing performance comparable to commercial Pt/C and has excellent long-term stability at high current density (1 A cm−2, 1000 h). X-Ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations reveal that the incorporation of Mo/W simultaneously alters the local coordination environment and induces element-dependent charge redistribution, accompanied by a system-level d-band center downshift, thereby optimizing the hydrogen binding strength across multimetallic sites. Meanwhile, oxophilic Mo/W sites lower the water dissociation energy barrier. These synergistic effects collectively enable efficient and durable pH-universal HER performance.

Wu, Yutong↗
DOE OSTI2022

Crystallographic dependence of CO 2 hydrogenation pathways over HCP-Co and FCC-Co catalysts

We report efficient conversion of CO 2 is of great significance for sustainable supply of chemicals and fuels. While Co-based catalysts are known to be effective for CO hydrogenation in Fischer-Tropsch synthesis, they work very differently in CO 2 hydrogenation. This study reveals a crystallographic dependence of reaction pathways for CO 2 hydrogenation on Co catalyst showing a new type of structure sensitivity and structure-activity-selectivity relationship for CO 2 conversion to chemicals and fuels. The experimental work on CO 2 conversion including steady-state isotopic transient kinetic analysis (SSITKA) using 13 C-labeled CO 2 shows a preferential CH 4 formation over HCP-Co but dominant CO formation over FCC-Co. The density functional theory calculations indicate that CO 2 does dissociate directly into chemisorbed CO * and O * on both HCP-Co and FCC-Co, but the CO * intermediates on HCP-Co prefer to be hydrogenated to form CH 4 whereas the CO* on FCC-Co preferentially desorb to form CO. The significantly altered adsorption strength of CO * due to the presence of chemisorbed O * and CO 2 * species on the catalyst surface is responsible for the mechanistic disconnection in product selectivity between the CO 2 and CO hydrogenation over Co catalysts. This study also shows that the addition of K to Co diminishes the direct impact of Co crystal structure, but improves the selectivity to C 2 + hydrocarbons along with higher CO 2 conversion. This seems to result from another pathway originating from HCOO* intermediate from bonding interaction of surface Co atoms with carbon in CO 2 , leading to the formation of CH x * whose coupling subsequently give rises to C 2 + products. The present study sheds new light into the crystallographic structural sensitivity of CO 2 hydrogenation towards the rational design of more selective catalysts for CO 2 conversion.

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

Enhanced methanol production from photothermal CO 2 reduction via multilevel interface design

Photothermal CO 2 hydrogenation is a promising route to produce methanol as a sustainable liquid solar fuel. However, most existing catalysts require a combination of solar irradiation and additional heat input to achieve a satisfactory reaction rate. For the few that can be driven solely by light, their reaction rates are one order of magnitude lower. We develop a photothermal catalyst with multilevel interfaces that achieves improved methanol production from photothermal CO 2 hydrogenation without external heat. The catalyst features a layered structure comprising Cu/ZnO/Al 2 O 3 (CZA) covered by oxidized carbon black (oCB), where the oCB/CZA interface promotes efficient heat generation and transfer, and the Cu/oxide interface contributes to high catalytic activity. Under a mild pressure of 8 bar, our oCB/CZA catalyst shows a methanol selectivity of 64.7% with a superior production rate of 4.91 mmol·g cza −1 ·h −1 , at least one order of magnitude higher than other photothermal catalysts solely driven by light. This work demonstrates a photothermal catalyst design strategy for liquid solar fuel production.

CO2 hydrogenation↗
DOE OSTI2024

Hydrogen-Steam Separation Using Mechanical Vapor Recompression Cycle

Solar thermochemical hydrogen and fuel production is a promising pathways for producing sustainable fuels and chemicals. One of the main challenges in the development of these systems is their low steam conversion extent, dictated by its restrictive thermodynamics requiring extremely high temperatures and low oxygen partial pressure to obtain conversions over 10 \%. While condensing the unreacted steam is technically simple, the latent heat is thus lost, which can be larger than the producd hydrogen higher heating value. We propose to use a modified mechanical vapor recompression cycle, allowing to recover the latent heat by compressing the steam-hydrogen mixture prior to the condensation process, thus creating a temperature different between the hot exhaust and cold inlet streams. We show that this method can recover over 90 % of the latent heat, thus increasing the viability of solar thermochemical hydrogen production cycles even under limited conversion conditions.

hydrogen technology↗
DOE OSTI2021

Renewable ammonia for sustainable energy and agriculture: vision and systems engineering opportunities

Synthetic ammonia is essential for agriculture, but its production at present is unsustainable. Ammonia synthesized with hydrogen from renewable-powered electrolysis and nitrogen separated from air has the potential to alleviate these sustainability concerns while also having promise as a low-cost storage medium for intermittent renewable energy. This paper reviews recent research and development on the topic of renewable ammonia production and utilization as fertilizer and as energy storage. We describe our vision for synergistically combining these renewable ammonia applications to improve sustainability. Furthermore, we outline opportunities for systems engineering to play a crucial role in advancing the adoption of renewable ammonia in a manner which is sustainable, economically competitive, and reliable.

10 SYNTHETIC FUELS↗
DOE OSTI2022

Novel Segregated Solid Propulsion System with Separately Stored Fuel and Oxidizer

Abstract The development and experimentation of a solid propulsion concept consisting of separate hydrogen‐rich solid propellant and solid oxidizer grains is presented. This system consists of an extremely fuel‐rich solid propellant, which, once ignited, undergoes a self‐sustaining decomposition to release fuel‐rich product gases, which are particularly rich in hydrogen gas. These relatively high‐temperature gases subsequently react with a solid oxidizer grain stored downstream. Progress in high‐nitrogen materials has allowed for the synthesis of fuel‐rich compounds that can store significant amounts of hydrogen, with little or no bound oxygen. With these new developments in propellant chemistry, a unique segregated propulsion system has been developed, creating an all‐solid propulsion system that combusts analogously to a reverse hybrid rocket system. Because of the physical separation of fuel and oxidizer, a higher level of safety is achieved which concurrently allows for the utilization of higher energy ingredients without the penalty of higher sensitivity. Theoretical performance calculations and experimental data have shown the potential for this system to compete with existing composite rocket propellants while having significant benefits in terms of safety, toxicity, and mission space. This paper presents a detailed overview of the conception, development, and testing of this propulsion system.

42 ENGINEERING↗
DOE OSTI2025

Adjusting the Criteria for Hydrogen Evolution by Single-Atom Catalysts

Downsizing noble metal catalysts is essential for improving atomic efficiency in sustainable energy applications. Typically, strategies focus on anchoring atomically scaled catalysts onto heteroatom-rich substrates, but these interactions can unintentionally alter the electronic structure of the catalyst, complicating the hydrogen evolution reaction (HER) mechanism. This study focuses on elucidating the interfacial mechanism of HER using structurally well-defined platinum single-atom (Pt SA) electrocatalysts. Unlike chemically reduced SAs, electrochemically deposited Pt SA catalysts do not rely on strong support interactions. As a result, these isolated Pt atoms can potentially achieve the theoretical maximum hydrogen production efficiency. This work introduces electrocatalysts composed solely of true SA sites, clarifying previous ambiguities surrounding the concept of SA electrocatalysis.

adsorption↗
DOE OSTI2020

An Integrated Energy Systems Prototype Human-System Interface for a Steam Extraction Loop System to Support Joint Electricity-Hydrogen Flexible Operations

Due to increasing economic competition from renewables and combined-cycle natural gas plants, nuclear power plants are looking toward flexible operations to enhance their cost competitiveness. The Integrated Energy Systems project under the Light Water Reactor Sustainability program of the U.S. Department of Energy focuses on joint electricity-hydrogen flexible operations. Joint electricity-hydrogen flexible operations entail the nuclear power plant diverting thermal energy via main steam to a hydrogen production plant located nearby. The steam serves to enhance the efficiency of the hydrogen production. Furthermore, high temperature electrolysis requires a large amount of electricity, which the plant can also provide. The plant provides steam and electricity to the hydrogen plant throughout the day, but during peak demand hours the nuclear power plant returns to solely providing electricity to meet the high demand. Through this flexible concept of operations, the plant can optimize the thermal energy it produces without having to maneuver the power of the plant. This report documents the human factors process to design and develop a prototype human-system interface for the steam extraction loop that serves as the conduit between the nuclear power plant and the adjacent hydrogen plant. The design process followed the human factors guidelines set by NUREG-0711, Human Factors Engineering Program Review Model (O’Hara, Higgins, & Fleger, 2012), and expanded upon by the Guideline for Operational Nuclear Usability and Knowledge Elicitation (GONUKE; Boring, Ulrich, Joe, & Lew, 2015; Boring, Lew, & Ulrich, 2016). The design process entailed operator interviews to determine the concept of operations for the steam extraction loop, a review and adaptation of digital interface design concepts developed by the team in prior projects, an iterative design process, and reviews conducted by both operators and human factors experts. Several versions of the prototype human-system interface were developed. Operators were interviewed to determine what design features they found useful and would like to see in the interface. The design underwent a review by human factors experts against NUREG-0700, Human Interface Design Review Guidelines (U.S. Nuclear Regulatory Commission, 2019), to ensure compliance with the latest human factors standards for digital interfaces in nuclear applications. The design was then prototyped as a functional windows-based application integrated with the Generic Pressurized Water Reactor simulator modified to include the steam extraction loop. The simulation is supported by the Human Systems Simulation Laboratory at Idaho National Laboratory, which supports operator-in-the-loop testing. This is an ongoing project and the next phase of the project entails performing an operator-in-the-loop usability study to evaluate the interface and examine the proposed concept of operations to extraction steam from the nuclear power plant for delivery to the coupled hydrogen production plant.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Ultra-selective CANAL Polymers for Hydrogen-based Membrane Separations after Long-Term Aging

Hydrogen is a critically important molecule in the chemicals and energy industries, driving the need for efficient purification technologies such as membrane-based separations. However, polymer membranes often suffer from physical aging, leading to decreased gas permeability over time. This study leverages the unique aging behavior of contorted microporous polymers, synthesized via catalytic arene-norbornene annulation (CANAL) polymerization, to enhance molecular sieving for H 2 separations. While prior studies demonstrated a 1000% increase in H 2 /CH 4 selectivity with minimal permeability loss over 150 days, we extend this investigation to hyperaged (∼1 year) CANAL polymers and evaluate their performance under various conditions of industrial relevance. We report a remarkable 6100% increase in H 2 /CH 4 selectivity and a 2400% improvement in H 2 /N 2 selectivity, with only a 55% decline in H 2 permeability. These membranes exhibit excellent long-term stability in binary and ternary gas mixtures and at elevated temperatures. Additionally, extended aging enhances H 2 /CO 2 selectivity beyond the 2008 upper bound due to improved size-sieving. High-temperature permeation experiments and grand canonical Monte Carlo simulations reveal that H 2 permeability increases from 570 to 3500 barrer as the temperature rises from 35 °C to 190 °C, while H 2 /CO 2 selectivity declines from 14 to 3 due to the higher diffusion activation energy of CO 2 . Despite this tradeoff, hyperaged CANAL membranes maintain performance beyond the 200 °C upper bound, having selectivity–permeability performance comparable to many state-of-the-art membranes for H 2 /CO 2 separations. As a result, this study highlights the robustness and industrial viability of ultra-selective CANAL polymers for hydrogen purification, contributing to advancements in clean energy and sustainable separation technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Zeolite-promoted platinum catalyst for efficient reduction of nitrogen oxides with hydrogen

Internal combustion engine fueled by carbon-free hydrogen (H 2 -ICE) offers a promising alternative for sustainable transportation. Herein, we report a facile and universal strategy through the physical mixing of Pt catalyst with zeolites to significantly improve the catalytic performance in the selective catalytic reduction of nitrogen oxides (NO x ) with H 2 (H 2 -SCR), a process aiming at NO x removal from H 2 -ICE. Via the physical mixing of Pt/TiO 2 with Y zeolite (Pt/TiO 2 + Y), a remarkable enhancement of NO x reduction activity and N 2 selectivity was simultaneously achieved. The incorporation of Y zeolite effectively captured the in-situ generated water, fostering a water-rich environment surrounding the Pt active sites. This environment weakened the NO adsorption while concurrently promoting the H 2 activation, leading to the strikingly elevated H 2 -SCR activity and N 2 selectivity on Pt/TiO 2 + Y catalyst. This study provides a unique, easy and sustainable physical mixing approach to achieve proficient heterogeneous catalysis for environmental applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Systems Analysis Perspectives of Methane Pyrolysis, Fossil-Based Ammonia Production, and H2 and NG/H2 Transport (FWP-1022467 (5, 7, 8))

This poster presentation provides an overview of NETL’s work focused towards supporting the development of technical solutions to: 1) produce economical and low-carbon hydrogen from natural gas; 2) advance hydrogen sensing technologies for the existing natural gas pipelines; 3) evaluating new infrastructure to be used to transport hydrogen safely at a large scale; and 4) produce sustainable chemicals and fuels, such as ammonia, from natural gas resources, including methane emissions from flare gas.

Sheriff, Alana↗
DOE OSTI2020

Sustainable Direct Recycling of Lithium-Ion Batteries via Solvent Recovery of Electrode Materials

Separation of electrode materials from their current collectors is an enabling step toward recovering critical materials from spent lithium-ion batteries. In this study, a highly efficient, cost-effective, and environmentally sustainable separation process was developed for that purpose. Ethylene glycol, a vital commodity chemical as an antifreeze and polymer precursor, is used to delaminate electrode materials at low temperatures in seconds without altering the crystalline structure and morphology of active electrode materials. The recovered current collectors were intact without any corrosion. The authors also found that the solvent could be continuously reused, leading to the development of a closed-loop ecosystem and lithium-ion battery circular economy. The ultrafast delamination was driven by the competitive inhibition of binding through the weakening of hydrogen bonding. The ethylene glycol-based separation is a sustainable electrode recovery process that paves the way for battery recycling.

25 ENERGY STORAGE↗
DOE OSTI2020

Energy Consumption and Cost Reduction of Future Light-Duty Vehicles through Advanced Vehicle Technologies: A Modeling Simulation Study Through 2050

The U.S. Department of Energy’s (DOE’s) Vehicle Technologies Office (VTO) and Hydrogen and Fuel Cell Technologies Office (HFTO) aim to develop sustainable, affordable and efficient technologies for transportation of goods and people. Translating investments in advanced transportation component technologies and powertrains to estimate vehicle-level fuel savings potential is critical for understanding DOE’s impact. In this work, we simulated technologies funded by VTO and HFTO for light duty vehicles. The simulations were performed across: Multiple powertrain configurations (i.e., conventional, power-split, extended-range electric vehicle, battery electric drive, and fuel-cell vehicles), Vehicle classes (i.e., compact car, midsize car, small sport utility vehicle [SUV], midsize SUV, and pickup trucks); and Fuels (i.e., gasoline, diesel, hydrogen, and battery electricity). These various technologies are assessed for six different timeframes: laboratory years 2015, 2020, 2025, 2030, and 2045. A delay of 5 years is assumed between laboratory year and model year (year technology is introduced into production). Finally, uncertainties are included for both technology performance and cost aspects by considering two cases: Low case, aligned with DOE technology manager estimates of expected original equipment manufacturer (OEM) improvements based on regulations, business as usual; and High case, aligned with aggressive technology advancements based on R&D targets developed through support by VTO & HFTO. These scenarios are not intended as predictions of future performances. The energy and cost impact of different technologies were estimated using Autonomie (www.autonomie.net), Argonne vehicle system simulation tool. Autonomie is a state-of-the-art vehicle system simulation tool used to assess the energy consumption, performance and cost of multiple advanced vehicle technologies across classes (from light to heavy duty), powertrains (from conventional to HEVs, FCEVs, PHEVs and BEVs), components and control strategies. Autonomie is packaged with a complete set of vehicle models for a wide range of vehicle classes, powertrain configurations and component technologies, including vehicle level and component level controls. These controls were developed and calibrated using dynamometer test data. Autonomie has been used to support a wide range of studies including analyzing various component technologies, sizing powertrains components for different vehicle requirements, comparing the benefits of powertrain configurations, optimizing both heuristic and route based vehicle energy control and predicting transportation energy use when paired with a traffic modeling tool such as POLARIS. This report documents the assumptions and estimates the vehicle-level energy consumption benefits and associated technology costs for the various types of light duty vehicles. All details of vehicle assumptions and simulation results are available in the spreadsheets accompanying this report.

33 ADVANCED PROPULSION SYSTEMS↗