Oxide Acidity Modulates Structural Transformations in Hydrogen Titanates during Electrochemical Li-Ion Insertion
Explore the source record for details and available documents.
Saeed, Saeed↗
SEARCH · Engineering Papers
Results for “HydroGEN”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Importance of hydrogen oxidation reaction current in quantifying hydrogen crossover in PEM water electrolyzers at high differential pressure
Understanding hydrogen permeation in proton exchange membrane water electrolyzers (PEMWEs) operating at high differential pressures (>25 bar) is critical towards developing effective gas recombination strategies that enable safe operation and high efficiency. Developing this understanding relies on accurate quantification of hydrogen crossover rates in water electrolyzers operating under such conditions. In this work, we show that PEMWEs operating at high differential pressures exhibit noticeable hydrogen oxidation reaction (HOR) currents. As the HOR consumes part of the permeated hydrogen at the anode, neglecting HOR currents leads to severe underestimation of the hydrogen crossover rate. We implemented a new method combining hydrogen oxidation current with online gas chromatography measurements to accurately quantify hydrogen crossover rates as a function of operating current density in PEMWEs operating at high differential pressures (10–30 bar g ).
25 ENERGY STORAGE↗
Wastewater hydrogen nexus (WwHeN): Greening the wastewater industry via integration with the hydrogen economy
As industries rally toward achieving net zero emissions, hydrogen and hydrogen-based fuels are emerging as key players in decarbonization efforts. Although the primary technology for producing renewable natural gas has been well implemented in the wastewater industry, the “decarbonization based goal setting” is trailing. This perspective assimilates existing literature presented in other contexts to highlight the need for framing the decarbonization dialog by using green hydrogen as a potential pathway for the wastewater industry. Specifically, we note the importance of (a) developing the decarbonization or net zero focus in the wastewater industry, and (b) colocating the wastewater industry with hydrogen production facilities. Finally, we also delve into technological, cost, and operational considerations to understand the readiness level of key stakeholders to identify future research and development opportunities for the wastewater hydrogen nexus.
08 HYDROGEN↗
Physical model and experimental validation of a high temperature proton exchange membrane electrochemical hydrogen pump cell for efficient single-stage extraction of low concentration hydrogen gas
There is interest in valorization of existing natural gas infrastructure to facilitate the co-transportation of hydrogen via blending of hydrogen gas initially at limited concentrations of 1–20 vol% H2 and to subsequently extract hydrogen at fuel cell quality standards (SAE J2719/ISO14687-2). High temperature proton exchange membrane electrochemical hydrogen pump (HT-PEM EHP) based on phosphoric acid doped polybenzimidazole (PA-PBI) exhibits good performance at elevated temperatures (>120 °C), which provides desirable tolerance to non-methane natural gas constituents that are problematic for lower temperature based EHP. To better understand the suitability of the HT-PEM EHP for such gas separation processes, a two-dimensional model of EHP based on PA-PBI was developed. The model is validated for several relevant operating conditions and across cells with differing amounts of phosphoric acid content in the electrodes. Operando micro x-ray computed tomography (CT) imaging of an HT-PEM EHP was used to further validate physical parameters and assumptions of the model. The impacts of pressure, relative humidity of the anode feed, and concentration of feed gases on separation performance are investigated. This study shows that a specific energy of separation of 5.1 kWh/kg H2 at a hydrogen recovery factor (HRF) of 50 vol% can be achieved in a single stage with the EHP, producing fuel cell quality hydrogen purity of 99.99 vol% H2 from a 2 vol% H2/CH4 feed blend, while pressurizing the product H2 at a pressure ratio of 1.3 relative to feed pressure.
Stansberry, John M↗
Overcoming Barriers in Electrochemical Toluene Hydrogenation for Efficient Hydrogen Storage by Pt 3 Au Alloy Catalysts
Hydrogen storage and transportation are essential for the hydrogen economy, and liquid organic hydrogen carriers (LOHCs), such as a toluene/methylcyclohexane (TOL/MCH) system, offer significant advantages in terms of safety and efficiency. However, the electrochemical reduction of TOL to MCH (TER) faces challenges from competing with the hydrogen evolution reaction (HER) and catalyst instability. Here, in this study, Pt 3 Au is introduced as a highly effective catalyst for TER. Through density functional theory screening, we identified distinctive properties of Pt 3 Au, including enhanced binding to the TER intermediates and effective HER suppression. Experimental validation confirmed these computational predictions, with Pt 3 Au achieving the highest reported Faradaic efficiency (98%) in proton exchange membrane systems. Moreover, long-term testing demonstrated that Pt 3 Au maintained Faradaic efficiencies of >90% over 9 h, highlighting its robustness and operational stability. By integrating computational modeling and experimental evaluation, this work addresses key limitations in LOHC catalysis. Pt 3 Au establishes a benchmark for selective and stable TER performance, paving the way for advanced hydrogen storage technologies. These findings emphasize the critical role of rational catalyst design in overcoming the challenges associated with scalable and efficient hydrogen storage solutions.
LOHC↗
Roles of Solvent in the Catalytic Hydrogen Release from Liquid Organic Hydrogen Carriers: Chemical, Thermodynamical and Technological Aspects
A Liquid Organic Hydrogen Carrier (LOHC) enables the storage and transport of hydrogen at ambient pressures and temperatures in a safe and convenient form using current infrastructure. However, it is challenging to directly compare reactivity and selectivity for hydrogen release, especially when comparing the catalytic efficiencies of neat LOHCs to highly diluted LOHCs in different solvents, reaction conditions, and catalysts. This work evaluates the role of solvents in catalysis and quantifies the energy efficiency of the overall process. The presence of solvent dilutes the volumetric density of available hydrogen, but may be necessary to achieve optimal catalysts stability, reactivity, and product selectivity. With respect to the reaction conditions as determined by thermodynamics, solvents with higher vapor pressures than that of the carrier can cause the erroneous impression of a more favorable reaction equilibrium. Concerning energy efficiency, solvents can result in increased energy demand for hydrogen release as the inert solvent must be heated to reaction temperatures required for release of H 2 from the LOHC. Further, this work recommends that investigations of catalyst reactivity should be carried out at different ratios of solvent to LOHC to understand how the reactivity changes and what the implications are for maximizing energy density and catalyst stability and reactivity. Investigations should also consider how these implications will affect the technical needs of applications intended for the LOHC system. Based on the results of this study, it is advised to focus research activities on LOHC systems with a gravimetric solvent content below about 50% as the thermodynamic disadvantages become very pronounced beyond this threshold.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
CO 2 Hydrogenation on Pd(111): The Role of Subsurface Hydrogen and Surface Defects
Palladium-based catalysts are often used in carbon dioxide (CO 2 ) hydrogenation reactions with different possible reaction pathways producing methanol, methane, formic acid, or carbon monoxide. We used ambient pressure X-ray photoelectron spectroscopy (AP-XPS) to understand the surface reaction mechanism of CO 2 hydrogenation on Pd(111). AP-XPS results show that the order in which the reactants are introduced yields different initial surface species. In a CO 2 and H 2 mixture, carbonaceous species (CH x , C*, PdC x ) are formed upon heating Pd(111) at 400 K and above. In addition, a Pd(111) sample pre-exposed to an elevated pressure of H 2 followed by evacuation to ultrahigh vacuum (UHV) can store enough hydrogen atoms in the subsurface and bulk to provide a hydrogen source for the CO 2 hydrogenation reaction to occur when exposed to CO 2 gas alone. In conclusion, the formation of carbonaceous species likely occurs through the decomposition of a transient CH x O intermediate facilitated by low-coordinated sites and surface defects.
36 MATERIALS SCIENCE↗
Electrochemical Cycling of Liquid Organic Hydrogen Carriers as a Sustainable Approach for Hydrogen Storage and Transportation
Hydrogen (H 2 ), as a high-energy-density molecule, offers a clean solution to carry energy. However, the high diffusivity and low volumetric density of H 2 pose a challenge for long-term storage and transportation. Liquid organic hydrogen carriers (LOHCs) have been suggested as a strategic way to store and transport hydrogen in stable molecules. More so, electrochemical LOHC cycling renders an opportunity to utilize renewable energy for hydrogen storage and transportation toward the goal of eliminating carbon emissions. In this Perspective, examples of electrochemical reactions of organic molecules and their suitability for LOHC couples are examined. A comparative carbon footprint assessment of electrochemical LOHC cycling processes against thermochemical and hybrid LOHC cycling processes was performed. The electrochemical LOHC cycling process had the lowest relative carbon footprint only when highly concentrated LOHCs were used as the feed or when purification of the LOHC product was not required. The carbon footprint in electrochemical cycling of diluted LOHC was primarily contributed to by the LOHC distillation separation process. A sensitivity analysis showed the carbon footprint LOHC concentration dependence during the electrochemical cycling process. Moreover, the electrolyte composition significantly affects the carbon footprint during electrochemical LOHC cycling. Energy utilization, water usage, and toxicity for electrochemical LOHC cycling are discussed to provide an overview for better economic and environmental practices. There are significant opportunities in the electrochemical cycling of LOHCs if appropriate conditions such as high concentrations of reactant, reversible redox cycling ability, high Faradaic efficiencies, and catalyst stabilities are achieved.
25 ENERGY STORAGE↗
Limitations of Hydrogen Detection After 150 Years of Research on Hydrogen Embrittlement
Hydrogen's significance in contemporary society lies in its remarkable energy density, yet its integration into the worldwide energy grid presents a substantial challenge. Exposing materials to hydrogen environments leads to degradation of mechanical properties, damage, and failure. While the current approach for assessing hydrogen's impact on materials involves mainly multiscale modeling and mechanical testing, there exists a significant deficiency in detecting the intricate interactions between hydrogen and materials at the nanoatomic scales and under in situ conditions. This perspective review highlights the experimental endeavors aimed at bridging this gap, pointing toward the imminent need for new experimental techniques that can detect and map hydrogen in materials’ microstructures and their site‐specific dependencies.
Tunes, Matheus A.↗
Evaluation of Common Thermoplastic Polymers in High-Pressure Cycling Hydrogen Under Ambient and Cold Environments as Applicable to the Hydrogen Infrastructure
Thermoplastic polymers are required to perform unfailingly under stringent conditions of changing pressures (35 MPa to 70 MPa) and temperatures (-40°C to +85°C) in storage and fueling operations. Although diffusivity in glassy polymers appear to be an order of magnitude lower than elastomers, polymer microstructural attributes such as degree of crystallinity and presence of polar and non-polar groups on the main chain with and without branching can play a substantial role in influencing their behaviors in hydrogen environments. In the work described here, the effect of high-pressure hydrogen cycling on PEEK, PTFE, PA11, HDPE, POM (and different commercial grades of these polymers) under ambient and cold (-40°C) conditions is addressed. Ex-situ characterization for polymer changes included density measurements for impact of hydrogen retention, hardness changes using nanoindentation, storage modulus and glass transition changes using dynamic mechanical and thermal analysis (DMTA), degree of crystallization with Differential Scanning Calorimetry (DSC) and tensile testing following ASTM D412. In other evaluations, solid-state nuclear magnetic resonance (NMR), attenuated total reflectance Fourier transform infra-red spectroscopy (ATRFTIR), X-ray diffraction (XRD), and X-ray CT results are presented. The overall impact of these evaluations is to establish a technical basis for the behaviors of common thermoplastics in cycling hydrogen environments under ambient and cold temperatures while establishing the relationship between polymer structure-based properties and hydrogen transport effects.
Menon, Nalini C.↗
A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage
The development of novel energy materials and fuels is required to expand current available energy sources. Aiming to reach this goal, there is growing interest in using molecular hydrogen as an energy carrier due to its abundance and high energy density. Liquid organic hydrogen carriers (LOHCs) are a promising route to the large-scale storage and transport of hydrogen for use in the energy economy. The search for thermodynamically viable LOHC molecules for real world use has led to a set of constraints on the dehydrogenation enthalpy and the minimum gravimetric hydrogen capacity. These constraints allow one to formulate the search for an ideal LOHC candidate molecule as an optimization problem well suited to the strengths of machine learning and artificial intelligence computational approaches. A critical barrier to a large-scale, high-throughput screening of LOHC candidate molecules is the lack of reliable training data. Computational electronic structure methods including density functional theory, coupled cluster approximations, and diffusion Monte Carlo can be used to provide training data where experimental data are either unreliable or do not exist. In this work, we use these methods to calculate the dehydrogenation energies and enthalpies of candidate LOHC molecules.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Impacts of Renewable Energy and Green Hydrogen Policies on Uttar Pradesh's Power Sector Future: Additional Modeling Scenarios to Explore Hydrogen Flexibility [Slides]
This slide deck is part of a broader program focused on supporting Indian states with long-term power system planning. More information about this program can be found at the National Renewable Energy Laboratory's "Supporting India's States With Renewable Energy Integration" web page at https://www.nrel.gov/international/india-renewable-energy-integration.html. The power sector in Uttar Pradesh, India's most populous state, is poised to transform over the next few decades due to a combination of national and state-level policies impacting both the supply and demand of electricity. The Government of Uttar Pradesh has policies and plans to develop in-state solar PV, pumped storage hydropower, and green hydrogen. Power system policymakers and utilities in Uttar Pradesh are faced with the challenges of planning a system that incorporates increasing amounts of renewable energy and storage resources, meets rising electricity demand due to economic development and green hydrogen production, and satisfies operational and reliability requirements. To support these various objectives, the National Renewable Energy Laboratory (NREL), RMI, and the Uttar Pradesh New and Renewable Energy Development Agency (UPNEDA) evaluated the least-cost pathways for the state's power sector through 2050. NREL developed a capacity expansion model that identifies investment and operational decisions for every year (2024-2050) for all of India, with detailed representation for the state of Uttar Pradesh, which can provide a framework for recurring planning studies. The purpose of this slide deck is to supplement the main study (published in May 2024) with additional modeling scenarios to explore hydrogen flexibility.
08 HYDROGEN↗
High-Capacity Hydrogen and Hydrogen Isotope Getters
Hydrogen can quietly build up inside sealed devices and industrial systems, shortening equipment life and creating safety risks. Los Alamos National Laboratory has developed a new class of high-capacity hydrogen getters that permanently remove hydrogen before it causes damage. Compared with conventional getters, this technology stores more hydrogen, operates across a wider range of conditions, and can be manufactured in multiple forms for easy integration into commercial products.
36 MATERIALS SCIENCE↗
Initial Laboratory Measurements Probing Hydrogen Interactions with Eagle Ford Shale and Pyrite: Potential Implications for Subsurface Hydrogen Storage
Hydrogen (H 2 ) has the potential to be a transformative technology as an enabler to a low-carbon future and promoter of renewable energy. When H 2 is injected and stored in the subsurface, it has the potential to interact with the caprock (usually shale) which overlies and seals the storage reservoir. Here, this study examines geochemical reactions or changes in surface morphology to Eagle Ford Shale, a proxy for caprock, upon exposure to H 2 at 50°C and 10.3 MPa. Reactions were also performed with N 2 to provide an experimental control. Scanning Electron Microscopy with Energy Dispersive Spectroscopy (SEM-EDS), Atomic Force Microscopy (AFM), and Optical Photothermal-Infrared (O-PTIR) Spectroscopy were applied to quantify changes on the microscale and nanoscale level. Fluid chemistry changes were monitored with Ion Chromatography (IC) and Inductively Coupled Plasma Mass Spectrometry (ICP-MS). Exposure of Eagle Ford Shale to H 2 gas alone did not result in any alterations to the shale chemically or any changes in the surface morphology. Exposure of Eagle Ford Shale to both H 2 and water as well as N 2 and water resulted in changes to the surface morphology because of gypsum dissolution and reprecipitation, thus indicating that H 2 is not necessary to promote changes. Pure pyrite was the most reactive with H 2 possibly resulting in a reduction to pyrrhotite. These initial studies suggest that the extent of reactions activated by hydrogen with caprock are minor under the temperature and pressure conditions that would represent underground hydrogen storage.
08 HYDROGEN↗
Amorphous electrocatalysts for oxygen and hydrogen evolution reactions: Advances in hydrogen production
The electrochemical splitting of water into oxygen and hydrogen is fundamental for renewable energy storage and conversion. The development of cost-effective and highly efficient electrocatalysts remains essential for industrial-scale implementation of this technology. Recent advances have highlighted the superior activity, stability and structural adaptability of amorphous electrocatalysts compared to their crystalline counterparts. This review critically examines synthesis strategies, characterisation techniques, and the electrochemical performance of amorphous materials for both oxygen evolution (OER) and hydrogen evolution (HER) reactions. Key factors influencing catalytic efficiency, including electronic structure and surface chemistry, are discussed in detail and contextualised with established literature. The review also highlights the critical role of enthalpic contributions in governing reaction energetics and catalyst performance, which aids in understanding and optimising electrocatalytic efficiency. Notably, ongoing research continues to reveal that amorphous catalysts consistently deliver improved performance in water-splitting applications, highlighting their growing relevance in electrocatalysis. The rationale for employing amorphous catalysts in water splitting is articulated, emphasising their unique advantages. By integrating recent findings and outlining future research directions, this review underscores the pivotal role of amorphous materials in advancing sustainable hydrogen production and identifies promising avenues for catalyst innovation.
Amorphous catalysts↗
NREL Hydrogen Sensor Testing Laboratory and Smart Hydrogen Wide Area Monitoring
The NREL Hydrogen sensor laboratory aims to ensure that hydrogen sensor technology is available to meet end-user needs and to foster the proper use of sensors by advancing next generation sensing and analysis techniques, supporting codes and standards development, and improving component reliability systems.
08 HYDROGEN↗
Achieving Product Control in Furfural Hydrogenation Using Intermetallic Catalysts
Explore the source record for details and available documents.
Ward, Charles J.↗
Temperature dependence of hydrogen diffusion in reservoir rocks: implications for hydrogen geologic storage
This study presents a comprehensive experimental dataset on the temperature-dependent diffusion of hydrogen (H 2 ) in reservoir rocks. The results demonstrate that H 2 diffuses through reservoir rocks up to 100 times faster than methane (CH 4 ).
08 HYDROGEN↗