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DOE OSTI2023

Foundational Low-Carbon Hydrogen Research

HydroGEN is a multi-lab consortium focused on early-stage R&D in H2 production, supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office (HFTO). The consortium advances research and development (R&D) of innovative materials for advanced water splitting (AWS) technologies to enable clean, sustainable and low-cost ($1/kg H2) hydrogen production and fosters cross-cutting innovation using theory-guided applied materials R&D to advance all emerging water-splitting pathways for hydrogen production. 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, its relationship to the H2NEW consortium, technical highlights of a few lab-led R&D projects, and the community appproach to benchmarking and protocol development for advanced water splitting technologies. Low-carbon hydrogen plays a vital role in the carbon dioxide utilization and decarbonization of several chemical and fuel industries.

advanced water splitting materials AEM↗

DOE OSTI2022

HydroGEN Overview: A Consortium on Advanced Water Splitting Materials

advanced water splitting technologies↗

DOE OSTI2023

HydroGEN Overview: A Consortium on Advanced Water Splitting Materials

HydroGEN is a multi-lab consortium focused on early-stage R&D in H2 production, supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office (HFTO). The consortium advances research and development (R&D) of innovative materials for advanced water splitting (AWS) technologies to enable clean, sustainable and low-cost ($1/kg H2) hydrogen production and fosters cross-cutting innovation using theory-guided applied materials R&D to advance all emerging water-splitting pathways for hydrogen production. 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.

advanced water splitting materials↗

DOE OSTI2026

HydroGEN Consortium

HydroGEN 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. Materials innovations are key to enhancing performance, durability, and cost of hydrogen generation technologies. 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 thermochemical (TCH) water splitting. The AWS technologies in this consortium study proton conduction in solid oxide electrolysis and hydroxide conduction in polymer electrolysis, and proton transport in photoelectrochemical water splitting. This presentation will provide an overview of the HydroGEN EMN and technical highlights of a few lab-led and DOE-awarded "seedling" 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.

08 HYDROGEN↗

DOE OSTI2020

Cleaning and dewatering fine coal

Fine coal is cleaned of its mineral matter impurities and dewatered by mixing the aqueous slurry containing both with a hydrophobic liquid, subjecting the mixture to a phase separation. The resulting hydrophobic liquid phase contains coal particles free of surface moisture and droplets of water stabilized by coal particles, while the aqueous phase contains the mineral matter. By separating the entrained water droplets from the coal particles mechanically, a clean coal product of substantially reduced mineral matter and moisture contents is obtained. The spent hydrophobic liquid is separated from the clean coal product and recycled. The process can also be used to separate one type of hydrophilic particles from another by selectively hydrophobizing one.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

High-Temperature Alkaline Water Electrolysis

Hydrogen production for mobile and energy storage applications from water electrolysis is attractive due to its high efficiency, fast ramp rates, and potential for the clean energy economy. However, current hydrogen production from electrolysis comprises only a small fraction of the global hydrogen market due to the high cost associated with expensive stack materials (membrane, catalyst, and bipolar plates) and electricity consumption of the commercial electrolysis systems. In this project, we aimed to develop a high temperature alkaline water electrolyzer (HTAWE) that can simultaneously reduce the electrolyzer cost (by adopting cheap material) and improve energy efficiency (by enabling high-temperature operation).

08 HYDROGEN↗

DOE OSTI2024

Budget-Constrained Sizing of Renewable and Energy Storage Systems for Farm-Scale Ammonia Production Within the Food-Energy-Water Nexus

In the transition toward sustainable agriculture, farms have emerged as eco-friendly pioneers, harnessing clean hybrid wind and solar systems to improve farm performance. A concern in this paradigm is the effective sizing of renewable energy systems to ensure optimal energy use within budget considerations. This research focuses on optimizing renewable energy sizing in small-scale ammonia production to meet specific farm demands and enhance local resilience, emphasizing the interplay between environmental and economic factors. These findings promise increased energy efficiency and sustainability in this innovative agricultural sector. Additionally, our approach considers small-scale ammonia plant needs and the dynamic relationships between ammonia, water, and farm demands. Simulations demonstrate substantial cost savings in farm electricity consumption. Specifically, scenarios with renewable energy integration in the farm can reduce at least 13% electricity cost compared to a grid-dependent system in the 15-year simulation.

ammonia↗

NASA NTRS2016

NASA and ESA Collaboration on Alternative to Nitric Acid Passivation: Parameter Optimization of Citric Acid Passivation for Stainless Steel Alloys

National Aeronautics and Space Administration (NASA) Headquarters chartered the Technology Evaluation for Environmental Risk Mitigation Principal Center (TEERM) to coordinate agency activities affecting pollution prevention issues identified during system and component acquisition and sustainment processes. The primary objectives of NASA TEERM are to: Reduce or eliminate the use of hazardous materials or hazardous processes at manufacturing, remanufacturing, and sustainment locations. Avoid duplication of effort in actions required to reduce or eliminate hazardous materials through joint center cooperation and technology sharing. Corrosion is an extensive problem that affects the National Aeronautics and Space Administration (NASA) and the European Space Agency (ESA). The damaging effects of corrosion result in steep costs, asset downtime affecting mission readiness, and safety risks to personnel. Consequently, it is vital to reduce corrosion costs and risks in a sustainable manner. NASA and ESA have numerous structures and equipment that are fabricated from stainless steel. The standard practice for protection of stainless steel is a process called passivation. Passivation is defined by The American Heritage Dictionary of the English Language as to treat or coat (a metal) in order to reduce the chemical reactivity of its surface. Passivation works by forming a shielding outer (metal oxide) layer that reduces the impact of destructive environmental factors such as air or water. Consequently, this process necessitates a final product that is very clean and free of iron and other contaminants. Typical passivation procedures call for the use of nitric acid; however, there are a number of environmental, worker safety, and operational issues associated with its use. Citric acid is an alternative to nitric acid for the passivation of stainless steels. Citric acid offers a variety of benefits including increased safety for personnel, reduced environmental impact, and reduced operational cost. The primary objective of this effort is to qualify citric acid as an environmentally-preferable alternative to nitric acid for the passivation of stainless steel alloys. While citric acid use has become more prominent in industry, there is little evidence that citric acid is a technically sound passivation agent, especially for the unique and critical applications encountered by NASA and ESA.

citric acid passivation↗

DOE OSTI2022

Plan for Scaling Up Hydrogen Production with Nuclear Power Plants

The United States (U.S.) Department of Energy’s (DOE’s) Light Water Reactor Sustainability (LWRS) Program Flexible Plant Operations and Generation (FPOG) Pathway is developing options to help U.S. nuclear power plants (NPPs) better integrate with intermittent wind and solar capacity and the recent surge of natural gas power generation. Research is focusing on improving NPP flexibility through hybrid production of electricity and other products, such as hydrogen (H 2 ) and energy storage for the purpose of shifting power production to a later time. In the case of H 2 production, the clean electrical and thermal power from an NPP can be used to split water using electrolysis. This report outlines the opportunity for NPPs to participate in a first-of-akind (FOAK) commercial nuclear H 2 project intended to bring industry partners together to create regional clean H 2 hubs. The Bipartisan Infrastructure Law (BIL) will fund at least one hub up to $1.25 billion as federal cost share totally no less than 50% to execute a nuclear H 2 project. The report discusses the set of activities that are now underway or that are planned for completion by the FPOG Pathway to reduce the economic, technical, regulatory, and safety risks of these projects. DOE cross-program activities are being coordinated to ensure success in the timeframe allowed by the BIL. Figure ES-1 shows the approximate schedule of coordinated research and development (R&D) and pilot demonstration projects leading up to the first commercial nuclear H 2 production project. Execution of this plan requires DOE and industry collaboration. DOE research accomplishments are being provided to the electric utilities or industries looking to participate in the H 2 hub proposal and project execution process.

08 HYDROGEN↗

DOE OSTI2023

Cutting-edge methods for amplifying the oxygen evolution reaction during seawater electrolysis: a brief synopsis

Electrochemical water splitting has been considered a clean and continual way for hydrogen (H 2 ) production. Direct seawater electrolysis is a potentially attractive technology due to the ample access to seawater and scarce freshwater resources in some regions. However, the presence of impurities (e.g., Cl - , Mg 2+ ) and the resulting corrosion and side reactions, such as the chloride oxidation reaction (ClOR), makes seawater electrocatalysis more challenging than that of fresh or alkaline water due to competition with the oxygen evolution reaction (OER) at the anode. Consequently, much effort has been devoted to developing approaches to enhance OER performance and suppress the ClOR. In this minireview, we summarize three general strategies for enhancing OER activity and selectivity in seawater electrolysis based on three different concepts: (1) the sole development of robust and high-performance OER catalysts in pure seawater electrolytes, (2) the introduction of additives to seawater electrolytes (e.g., alkalis and/or salts without chloride) to enhance the potential equilibrium gap between the ClOR and OER in combination with regular highly active OER catalysts, and (3) a combination of approaches (1) and (2). Finally, the current challenges and potential opportunities for green H 2 production from seawater electrolysis are briefly presented.

08 HYDROGEN↗

DOE OSTI2024

A dynamic solvent chamber propagation estimation framework using RNN for warm solvent injection in heterogeneous reservoirs

Warm solvent injection (WSI), injecting low-temperature solvent into formations to reduce the viscosity of heavy oil, is a clean technology for heavy oil production through reducing greenhouse gas emissions and water usage. The success of WSI operation depends on the uniform development and propagation of solvent chambers in reservoirs. However, reservoir heterogeneity stemming from shale barriers plays a detrimental role in the conformance of solvent chamber development and oil production rate. In this work, we developed a novel recurrent neural network (RNN)-based framework with the capability of efficiently tracking and estimating the solvent chamber positions in heterogeneous reservoirs based on only production time-series data. The developed estimation model utilizes the “sequence-to-sequence" mapping methodology to correlate observed production time-series sequence and solvent chamber edge sequence via a long short-term memory (LSTM) algorithm. The trained RNN models exhibit high accuracy, evidenced by the predicted dynamic solvent chamber locations match the corresponding true locations from numerical simulation, with a high coefficient of determination (R 2 ) and a low mean squared error. Specifically, the achieved R 2 values exceed 0.98 on both the training and testing data. The developed RNN-based workflow was tested via several cases from both regularly- and irregularly-shaped shale barriers, and the results were promising. The predicted solvent chambers showed strong agreement with those obtained from numerical simulations. The major benefits of this workflow include reducing computational time and saving overall monitoring and tracking costs for conventional techniques. In conclusion, the present work would provide a good demonstration of the capability of practical integration of machine learning methods in solving engineering problems.

58 GEOSCIENCES↗

NASA NTRS1981

Bulk lifetime indicates surface contamination

Indirect measurement of wafer surface impurities has sensitivity of 300 monolayers. Photoconductivity-decay apparatus determines bulk recombination lifetime in semiconductor materials. Bulk impurity levels before and after annealing relate to level of surface contamination. Method evaluates wafer cleaning techniques, qualifying purity of chemical and deionized water used, or monitors production process.

Blais, P. D.↗

DOE OSTI2021

Integrating Solar Energy, Desalination, and Electrolysis

Solar electricity enables the advancement and deployment of technologies that are strongly influenced by clean energy availability and cost. The economics of both desalination and hydrogen production from water electrolysis are dominated by the cost of energy, and the availability of inexpensive solar energy creates markets and offers incentives to the desalination and electrolyzer industries. In this report the production of high-purity water and hydrogen from seawater is focused on. Current electrolyzers require deionized water so they need to be coupled with desalination units. It is shown that such coupling is cost effective in hydrogen generation, and it also offers benefits to thermal desalination, which can utilize waste heat from electrolysis. Furthermore, such coupling can be optimized when electrolyzers operate at high current density, using low-cost solar and/or wind electricity, as such operation increases both hydrogen production and heat generation. Results of technoeconomic modeling of polymer electrolyte membrane electrolyzers define thresholds of electricity pricing, current density, and operating temperature that make clean electrolytic hydrogen cost competitive with hydrogen from steam methane reforming (SMR). By using 2020 hourly electricity pricing in California and Texas, it is estimated that hydrogen can be produced from seawater in coupled desalination-electrolyzer systems at prices near $2 kg -1 H 2 , reaching cost parity with hydrogen produced from SMR.

14 SOLAR ENERGY↗

NASA NTRS2012

Human Exploration Missions - Maturing Technologies to Sustain Crews

Human exploration missions beyond low earth orbit will be long duration with abort scenarios of days to months. Providing crews with the essentials of life such as clean air and potable water means recycling human metabolic wastes back to useful products. Individual technologies are under development for such things as CO2 scrubbing, recovery of O2 from CO2, turning waste water into potable water, and so on. But in order to fully evaluate and mature technologies fully they must be tested in a relevant, high-functionality environment; a systems environment where technologies are challenged with real human metabolic wastes. It is for this purpose that an integrated systems ground testing capability at the Johnson Space Center is being readied for testing. The relevant environment will include deep space habitat human accommodations, sealed atmosphere of 8 psi total pressure and 32% oxygen concentration, life support systems (food, air, water), communications, crew accommodations, medical, EVA, tools, etc. Testing periods will approximate those of the expected missions (such as a near Earth asteroid, Earth ]Moon L2 or L1, the moon, and Mars). This type of integrated testing is needed not only for research and technology development but later during the mission design, development, test, and evaluation phases of preparing for the mission.

Mukai, Chiaki↗

NASA NTRS1999

Electrolysis Propulsion Provides High-Performance, Inexpensive, Clean Spacecraft Propulsion

An electrolysis propulsion system consumes electrical energy to decompose water into hydrogen and oxygen. These gases are stored in separate tanks and used when needed in gaseous bipropellant thrusters for spacecraft propulsion. The propellant and combustion products are clean and nontoxic. As a result, costs associated with testing, handling, and launching can be an order of magnitude lower than for conventional propulsion systems, making electrolysis a cost-effective alternative to state-of-the-art systems. The electrical conversion efficiency is high (>85 percent), and maximum thrust-to-power ratios of 0.2 newtons per kilowatt (N/kW), a 370-sec specific impulse, can be obtained. A further advantage of the water rocket is its dual-mode potential. For relatively high thrust applications, the system can be used as a bipropellant engine. For low thrust levels and/or small impulse bit requirements, cold gas oxygen can be used alone. An added innovation is that the same hardware, with modest modifications, can be converted into an energy-storage and power-generation fuel cell, reducing the spacecraft power and propulsion system weight by an order of magnitude.

deGroot, Wim A.↗

DOE OSTI2025

Development of Polycrystalline Photoelectrodes with Optimum Compositions and Morphologies for Solar Fuel Production via Electrochemical Synthesis (Final Technical Report)

Photoelectrochemical cells (PECs) can utilize solar energy for water splitting to produce H 2 as a clean fuel. The most critical components of a water-splitting PEC are semiconductor electrodes (photoelectrodes) that absorb solar energy to generate photoexcited charge carriers and transport them to the electrode/electrolyte interface for water reduction and oxidation reactions. While efficient PEC hydrogen production has been successfully demonstrated on the laboratory scale, the commercial viability of PECs depends critically on the cost of H 2 produced by the PECs, which is affected by the cost of PEC construction. Therefore, identifying promising inexpensive semiconductor electrodes is important. The goal of this project was to bring an advancement in the synthesis and understanding of inexpensive polycrystalline photoelectrodes based on oxides. Oxide-based semiconductors are inexpensive, easy to fabricate, and relatively more stable in aqueous media compared to other types of semiconductors. This project developed new electrodeposition methods to produce a variety of oxide-based semiconductor electrodes with precisely controlled compositions and morphologies to enhance photon absorption, electron-hole separation, and the use of electrons and holes for desired chemical reactions. The resulting high-quality photoelectrodes were investigated to establish the structure-composition-morphology-photoelectrochemical property relationships to identify the advantages and limitations of each oxide semiconductor system.

14 SOLAR ENERGY↗

DOE OSTI2023

Water dissociation at the water–rutile TiO 2 (110) interface from ab initio-based deep neural network simulations

The interaction of water with TiO 2 surfaces is of crucial importance in various scientific fields and applications, from photocatalysis for hydrogen production and the photooxidation of organic pollutants to self-cleaning surfaces and bio-medical devices. In particular, the equilibrium fraction of water dissociation at the TiO 2 –water interface has a critical role in the surface chemistry of TiO 2 , but is difficult to determine both experimentally and computationally. Among TiO 2 surfaces, rutile TiO 2 (110) is of special interest as the most abundant surface of TiO 2 ’s stable rutile phase. While surface-science studies have provided detailed information on the interaction of rutile TiO 2 (110) with gas-phase water, much less is known about the TiO 2 (110)–water interface, which is more relevant to many applications. In this work, we characterize the structure of the aqueous TiO 2 (110) interface using nanosecond timescale molecular dynamics simulations with ab initio-based deep neural network potentials that accurately describe water/TiO 2 (110) interactions over a wide range of water coverages. Simulations on TiO 2 (110) slab models of increasing thickness provide insight into the dynamic equilibrium between molecular and dissociated adsorbed water at the interface and allow us to obtain a reliable estimate of the equilibrium fraction of water dissociation. We find a dissociation fraction of 22 ± 6% with an associated average hydroxyl lifetime of 7.6 ± 1.8 ns. These quantities are both much larger than corresponding estimates for the aqueous anatase TiO 2 (101) interface, consistent with the higher water photooxidation activity that is observed for rutile relative to anatase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗