US Department Of Energy Research Articles

Cobalt Nitride-Implanted PtCo Intermetallic Nanocatalysts for Ultrahigh Fuel Cell Cathode Performance.

Stable and active oxygen reduction electrocatalysts are essential for practical fuel cells. Herein, we report a novel class of highly ordered platinum-cobalt (Pt-Co) alloys embedded with cobalt nitride. The intermetallic core-shell catalyst demonstrates an initial mass activity of 0.88 A mgPt-1 at 0.9 V with 71% retention after 30,000 potential cycles of an aggressive square-wave accelerated durability test and loses only 9% of its electrochemical surface area, far exceeding the US Department of Energy 2025 targets, with unprecedented stability and only a minimal voltage loss under practical fuel cell operating conditions. We discover that regulating the atomic ordering in the core results in an optimal lattice configuration that accelerates the oxygen reduction kinetics. The presence of cobalt nitride decorated within PtCo superlattices guarantees a larger barrier to Co dissolution, leading to the excellent endurance of the electrocatalysts. This work brings up a transformative structural engineering strategy for rationally designing high-performing Pt-based catalysts with a unique atomic configuration for broad practical uses in energy conversion technology.

Efficient and Ultrastable Seawater Electrolysis at Industrial Current Density with Strong Metal-Support Interaction and Dual Cl--Repelling Layers.

Direct seawater electrolysis is emerging as a promising renewable energy technology for large-scale hydrogen generation. The development of Os-Ni4Mo/MoO2 micropillar arrays with strong metal-support interaction (MSI) as a bifunctional electrocatalyst for seawater electrolysis is reported. The micropillar structure enhances electron and mass transfer, extending catalytic reaction steps and improving seawater electrolysis efficiency. Theoretical and experimental studies demonstrate that the strong MSI between Os and Ni4Mo/MoO2 optimizes the surface electronic structure of the catalyst, reducing the reaction barrier and thereby improving catalytic activity. Importantly, for the first time, a dual Cl- repelling layer is constructed by electrostatic force to safeguard active sites against Cl- attack during seawater oxidation. This includes a strong Os─Cl adsorption and an in situ-formed MoO4 2- layer. As a result, the Os-Ni4Mo/MoO2 catalyst exhibits an ultralow overpotential of 113 and 336mV to reach 500mA cm-2 for HER and OER in natural seawater from the South China Sea (without purification, with 1m KOH added). Notably, it demonstrates superior stability, degrading only 0.37 µV h-1 after 2500 h of seawater oxidation, significantly surpassing the technical target of 1.0 µV h-1 set by the United States Department of Energy.

Modeling of Catalyst Degradation in Polymer Electrolyte Membrane Fuel Cells Applied to Three‐Dimensional Computational Fluid Dynamics Simulation

ABSTRACTIn a polymer electrolyte membrane (PEM) fuel cell, the following degradation mechanisms are associated with the catalyst particles and their support: carbon support corrosion triggered by carbon and platinum oxidation, platinum dissolution with redeposition, and particle detachment with agglomeration. In this work, an electrochemical model for those degradation effects is presented as well as its coupling with a three‐dimensional computational fluid dynamics PEM fuel cell performance model. The overall model is used to calculate polarization curves and current density distributions of a PEM fuel cell in a fresh and aged state as well as the degradation process during an accelerated stress test with 30 000 voltage cycles. The obtained simulation results are compared to measurements on a three‐serpentine channel PEM fuel cell with an active area of 25 cm2 under various temperatures and humidities. The experimental data are obtained with a segmented test cell using respective degradation protocols and test conditions proposed by the United States Department of Energy. In addition to the temperature and humidity changes, the influence of geometry and material parameters on the degree of degradation and the resulting fuel cell performance is explored in detail.

Enhancing hydrogen storage efficiency: Computational insights into scandium-decorated 2D polyaramid

This study explores hydrogen storage in 2D polyaramid (2DPA) and its enhancement via scandium decoration for onboard storage in fuel cell vehicles. Sc decoration in 2DPA is accompanied by a net 1.6 e charge transfer from Sc to 2DPA. Hydrogen binding in 2DPA + Sc proceeds with a net charge transfer of 0.32 e from Sc towards H2. 2DPA + Sc demonstrates a maximum hydrogen loading capacity of 8.589 wt% with an average adsorption energy of −0.376 eV/H2. These findings meet the stipulated criteria by the US Department of Energy for solid-state hydrogen storage in light-duty vehicles. Feasibility studies were conducted considering practical limitations in transition metal-modified carbon nanomaterials, including Sc-Sc clustering tendencies, stability, and hydrogen desorption behavior via ab initio molecular dynamics simulations, phonon dispersion, and diffusion studies. The highest barrier height for hydrogen desorption from 2DPA + Sc is 0.48 eV, and desorption is predicted to occur at 412 K (5 bar) indicating possibility of room temperature and reversible hydrogen storage. Our findings indicate that 2DPA + Sc is a promising hydrogen storage substrate material and should be explored in experimental trials.

ExaFEL: extreme-scale real-time data processing for X-ray free electron laser science

ExaFEL is an HPC-capable X-ray Free Electron Laser (XFEL) data analysis software suite for both Serial Femtosecond Crystallography (SFX) and Single Particle Imaging (SPI) developed in collaboration with the Linac Coherent Lightsource (LCLS), Lawrence Berkeley National Laboratory (LBNL) and Los Alamos National Laboratory. ExaFEL supports real-time data analysis via a cross-facility workflow spanning LCLS and HPC centers such as NERSC and OLCF. Our work therefore constitutes initial path-finding for the US Department of Energy's (DOE) Integrated Research Infrastructure (IRI) program. We present the ExaFEL team's 7 years of experience in developing real-time XFEL data analysis software for the DOE's exascale supercomputers. We present our experiences and lessons learned with the Perlmutter and Frontier supercomputers. Furthermore we outline essential data center services (and the implications for institutional policy) required for real-time data analysis. Finally we summarize our software and performance engineering approaches and our experiences with NERSC's Perlmutter and OLCF's Frontier systems. This work is intended to be a practical blueprint for similar efforts in integrating exascale compute resources into other cross-facility workflows.

Evaluation of transition to 100% electric vehicles (EVs) by 2052 in the United States

With the rising need to transition from fossil fuel consumption to renewables, the transportation industry is foreseeing large-scale adoption of electric vehicles (EVs). According to various studies, the petroleum resources will last until or around 2052. Utilizing the US Federal Highway Administration (FHWA) published data on the number of registered vehicles by each state, the profile of vehicles by 2052 was forecasted using a time series. The vehicle profile comprised vehicles by each type classified as automobiles, buses, trucks, and motorcycles. This future profile became the basis of the quantification of total EVs by the end of 2052. Based on the available fuel economy data published by the US Department of Energy, the average energy consumption per mile (kWh/mile) of each vehicle type was factored into the energy demand calculation for 100% electrification by 2052. A roof-top solar photovoltaic system is easy to install on unoccupied roof space for US house owners. Obtaining the capacity of such a roof-top solar PV system acts as a good decision-making criterion for both house owners and developers. However, for city-dwellers living in multi-family residential buildings, the potential of utilization of roof-top solar PV becomes a subject of future work when effective sharing of resources for local power generation by renewables and development of community-shared EV charging infrastructure is concerned. How well EVs performed against internal combustion engine (ICE) vehicles in terms of fuel efficiency and reduced carbon emissions is a driving factor for this transition. For energy demand calculations, a base model was framed, and results were obtained by utilizing mathematical and statistical tools. After accounting for the effects of improved fuel efficiency or reduced energy consumption by EVs over time, the model was modified to obtain revised energy demand and, thus, effective energy generation required. Accordingly, the capacity of EV charging infrastructure required by each state determined the need for preparation by utility companies and local jurisdictions. With limitations on battery size and thus increased frequency for drivers to return for charging, additional fast chargers (level 3) at existing gasoline stations become an option that requires further assessment.

Access to diagnostic imaging and radiotherapy technologies for patients with cancer in the Baltic countries, eastern Europe, central Asia, and the Caucasus: a comprehensive analysis

Only 10-40% of patients with cancer in low-income and middle-income countries were able to access curative or palliative radiotherapy in 2015. We aimed to assess the current status of diagnostic imaging and radiotherapy services in the Baltic countries, eastern Europe, central Asia, and the Caucasus by collecting and analysing local data. This Access to Radiotherapy (ART) comprehensive analysis used data from 12 countries: the three Baltic countries (Estonia, Latvia, and Lithuania), two countries in eastern Europe (Moldova and Ukraine), four countries in central Asia (Kazakhstan, Kyrgyzstan, Tajikistan, and Uzbekistan), and three countries in the Caucasus (Armenia, Azerbaijan, and Georgia), referred to here as the ART countries. We were not able to obtain engagement from Turkmenistan. The primary outcome was to update the extent of shortfalls in the availability of diagnostic imaging and radiotherapy technologies and radiotherapy human resources for patients with cancer in former Soviet Union countries. Following the methods of previous similar studies, we developed three questionnaires-targeted towards radiation oncologists, regulatory authorities, and researchers-requesting detailed information on the availability of these resources. Authors from participating countries sent two copies of the appropriate questionnaire to each of 107 identified institutions and coordinated data collection at the national level. Questionnaires were distributed in English and Russian and responses in both languages were accepted. Two virtual meetings held on May 30 and June 1, 2022, were followed by an in-person workshop held in Almaty, Kazakhstan, in September, 2022, attended by representatives from all participating countries, to discuss and further validate the data submitted up to this point. The data were collected on a dedicated web page, developed by the International Cancer Expert Corps, and were then extracted and analysed. Data were collected between May 10 and Nov 30, 2022. 81 (76%) of the 107 institutions contacted, representing all 12 ART countries, submitted 167 completed questionnaires. The Baltic countries, which are defined as high-income countries, had more diagnostic imaging equipment and radiotherapy human resources (eg, Latvia [1·74] and Lithuania [1·47] have a much higher number of radiation oncologists per 100 000 population than the other ART countries, all of which had <1 radiation oncologist per 100 000 population) and greater radiotherapy technological capacities (higher numbers of linear accelerators and, similar to Georgia, high total external beam radiotherapy capacity) than the other ART countries, as well as high cancer detection rates (Latvia 311 cases per 100 000 population, Lithuania 292, and Estonia 288 vs, for example, 178 in Armenia, 144 in Ukraine, and 72 in Kazakhstan) and low cancer mortality-to-cancer incidence ratios (Estonia 0·43, Latvia 0·49, and Lithuania 0·48; lower than all but Kazakhstan [0·41]). The highest cancer mortality-to-cancer incidence ratios were reported by Moldova (0·71) and Georgia (0·74). Our findings show that the number of cancer cases, availability of diagnostic imaging equipment, radiation oncologists and radiotherapy capacity, and cancer mortality-to-cancer incidence ratios all vary substantially across the countries studied, with the three high-income, well resourced Baltic countries performing better in all metrics than the included countries in eastern Europe, central Asia, and the Caucasus. These data highlight the challenges faced by many countries in this study, and might help to justify increased investment of financial, human, and technological resources, with the aim to improve cancer treatment outcomes. US Department of Energy's National Nuclear Security Administration's Office of Radiological Security.

Field theory with the Maxima computer algebra system

The Maxima computer algebra system, the open-source successor to MACSYMA, the first general-purpose computer algebra system that was initially developed at the Massachusetts Institute of Technology in the late 1960s and later distributed by the United States Department of Energy, has some remarkable capabilities, some of which are implemented in the form of add-on, “share” packages that are distributed along with the core Maxima system. One such share package is itensor, for indicial tensor manipulation. One of the more remarkable features of itensor is functional differentiation. Through this, it is possible to use itensor to develop a Lagrangian field theory and derive the corresponding field equations. In this paper, we demonstrate this capability by deriving Maxwell’s equations from the Maxwell Lagrangian, and exploring the properties of the system, including current conservation.

Atmospheric-river-induced precipitation in California as simulated by the regionally refined Simple Convective Resolving E3SM Atmosphere Model (SCREAM) Version 0

Abstract. Using the regionally refined mesh (RRM) configuration of the US Department of Energy's Simple Cloud-Resolving Energy Exascale Earth System Model (E3SM) Atmosphere Model (SCREAM), we simulate and evaluate four meteorologically distinct atmospheric river events over California. We test five different RRM configurations, each differing in terms of the areal extent of the refined mesh and the resolution (ranging from 800 m to 3.25 km). We find that SCREAM RRM generally has a good representation of the AR-generated precipitation in CA, even for the control simulation which has a very small 3 km refined patch, and is able to capture the fine-scale regional distributions that are controlled largely by the fine-scale topography of the state. It is found that SCREAM generally has a wet bias over topography, most prominently over the Sierra Nevada mountain range, with a corresponding dry bias on the lee side. We find that refining the resolution beyond 3 km (specifically 1.6 km and 800 m) has virtually no benefit towards reducing systematic precipitation biases but that improvements can be found when increasing the areal extent of the upstream refined mesh. However, these improvements are relatively modest and only realized if the size of the refined mesh is expanded to the scale where employing RRM no longer achieves the substantial cost benefit it was intended for.

Unlocking Manufacturing Sustainability: Energy Efficiency Opportunities through the US Department of Energy’s Better Plants Program Energy Treasure Hunts (2023–2024)

Unlocking Manufacturing Sustainability: Energy Efficiency Opportunities through the US Department of Energy’s Better Plants Program Energy Treasure Hunts (2023–2024)

GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading

Fourier pseudo-spectral methods for nonlinear partial differential equations are of wide interest in many areas of advanced computational science, including direct numerical simulation of three-dimensional (3-D) turbulence governed by the Navier-Stokes equations in fluid dynamics. This paper presents a new capability for simulating turbulence at a new record resolution up to 35 trillion grid points, on the world's first exascale computer, Frontier, comprising AMD MI250x GPUs with HPE's Slingshot interconnect and operated by the US Department of Energy's Oak Ridge Leadership Computing Facility (OLCF). Key programming strategies designed to take maximum advantage of the machine architecture involve performing almost all computations on the GPU which has the same memory capacity as the CPU, performing all-to-all communication among sets of parallel processes directly on the GPU, and targeting GPUs efficiently using OpenMP offloading for intensive number-crunching including 1-D Fast Fourier Transforms (FFT) performed using AMD ROCm library calls. With 99% of computing power on Frontier being on the GPU, leaving the CPU idle leads to a net performance gain via avoiding the overhead of data movement between host and device except when needed for some I/O purposes. Memory footprint including the size of communication buffers for MPI_ALLTOALL is managed carefully to maximize the largest problem size possible for a given node count.Detailed performance data including separate contributions from different categories of operations to the elapsed wall time per step are reported for five grid resolutions, from 20483 on a single node to 327683 on 4096 or 8192 nodes out of 9408 on the system. Both 1D and 2D domain decompositions which divide a 3D periodic domain into slabs and pencils respectively are implemented. The present code suite (labeled by the acronym GESTS, GPUs for Extreme Scale Turbulence Simulations) achieves a figure of merit (in grid points per second) exceeding goals set in the Center for Accelerated Application Readiness (CAAR) program for Frontier. The performance attained is highly favorable in both weak scaling and strong scaling, with notable departures only for 20483 where communication is entirely intra-node, and for 327683, where a challenge due to small message sizes does arise. Communication performance is addressed further using a lightweight test code that performs all-to-all communication in a manner matching the full turbulence simulation code. Performance at large problem sizes is affected by both small message size due to high node counts as well as dragonfly network topology features on the machine, but is consistent with official expectations of sustained performance on Frontier. Overall, although not perfect, the scalability achieved at the extreme problem size of 327683 (and up to 8192 nodes — which corresponds to hardware rated at just under 1 exaflop/sec of theoretical peak computational performance) is arguably better than the scalability observed using prior state-of-the-art algorithms on Frontier's predecessor machine (Summit) at OLCF. New science results for the study of intermittency in turbulence enabled by this code and its extensions are to be reported separately in the near future.

Fervo Showed Fractured Geothermal Works, Now Must Do It Bigger, Cheaper, and Soon

Earlier this year, one of the founders of Fervo Energy announced that the geothermal innovator had reached its “Mitchell moment.” Jack Norbeck, chief technology officer for Fervo, likened a test where it used a pair of fractured wells to create water hot enough to generate electricity to the time when Mitchell Energy adopted slickwater fracturing to economically extract large amounts of gas from the ultratight rock in the Barnett Formation. “We have derisked all those core challenges, we reached the Mitchell Energy moment for geothermal,” Norbeck said. By doing all that and supplying 3.5 MW of electricity to the local grid that powers Google facilities, he announced that the firm’s enhanced geothermal system (EGS), had reached the highest level of technical readiness. Now comes the hard part—proving that technical triumph can be turned into something really big. The Mitchell moment in 1997 is remembered because it led to a series of innovations that allowed hydraulic fracturing and horizontal drilling to add enough oil and gas production to move global markets. What has been learned about fracturing in the decades since allowed oil industry veterans at Fervo to effectively use those tools to do what others had failed to accomplish—create high-volume EGS capable of generating power. One big difference between the moments is that Houston-based Fervo’s next step looks like a leap compared to Mitchell’s. After Mitchell’s moment, no innovation was required to sell shale gas from the Barnett or find the oilfield services needed to develop and produce it. Plus, it could learn from the many other companies working in tight rock plays. Its moment was the culmination of years of innovations by oil and service companies who continued finding ways to build on that advance. The endless arguments over who can claim credit for the innovations behind the Mitchell moment are evidence of the size of that support network. Today, Fervo’s efforts are also supported by the oil industry’s service sector and supply chain. Oil company Devon Energy, drilling contractor Helmerich &amp; Payne, and pressure-pumping specialist Liberty Energy are among its early backers. And Fervo is benefiting from the government-funded research and site-evaluation work at the Utah Frontier Observatory for Research in Geothermal Energy (FORGE) site, which is the key site for geothermal testing funded by the US Department of Energy (DOE). But unlike Mitchell, the path to commercial success will require Fervo and others to show they can create large operations to convert the heat they harvest into a cost-competitive commodity in a fast-changing, highly competitive industry. Sage Geosystems recently was added to the short list of geothermal startups with big projects, signing a deal with Meta to build a 150-MW plant somewhere east of the Rockies. Also high on the list is Eavor whose first commercial project will use its closed-loop heating technology for home heating and electric generation in Germany.

Maximizing Onboard Hydrogen Storage Capacity by Exploring High-Strength Novel Materials Using a Mathematical Approach.

Hydrogen fuel holds promise for clean energy solutions, particularly in onboard applications such as fuel cell vehicles. However, the development of efficient hydrogen storage systems remains a critical challenge. This study addresses this challenge by exploring the potential of high-strength novel materials, including glass, to maximize onboard hydrogen storage capacity. A mathematical approach was employed to evaluate the feasibility and efficacy of various high-strength materials for hydrogen storage. This study focused on capillary arrays as a promising storage medium and utilized mathematical modeling techniques to estimate the storage capacity enhancement achievable with different materials. The analysis revealed significant variations in storage capacity enhancements in different high-strength novel materials, with glass having promising results. Glass-based materials demonstrated the potential to meet or exceed US Department of Energy (DOE) targets for both gravimetric and volumetric hydrogen storage capacities in capillary arrays. By leveraging a mathematical approach, this study identified high-strength novel materials, including glass and polymers, capable of substantially improving onboard hydrogen storage capacity: 29 wt.% with 40 g/L for quartz glass and 25 wt.% with 38 g/L for Kevlar compared to 5.2 wt.% with 26.3 g/L from a conventional type IV tank. These findings underscore the importance of material selection in optimizing hydrogen storage systems and provide valuable insights for the design and development of next-generation hydrogen storage technologies for onboard applications.

The United States Department of Energy and National Institutes of Health Collaboration: Medical Care Advances by Discovery in Radiation Detection.

A National Institutes of Health (NIH) and U.S. Department of Energy (DOE) Office of Science virtual workshop on shared general topics was held in July of 2021 and reported on in this publication in January of 2023. Following the inaugural 2021 joint meeting representatives from the DOE Office of Science and NIH met to discuss organizing a second joint workshop that would concentrate on radiation detection to bring together teams from both agencies and their grantee populations to stimulate collaboration and efficiency. To meet this scientific mission within the NIH and DOE radiation detection space, the organizers assembled workshop sessions covering the state-of-the-art in cameras, detectors, and sensors for radiation external and internal (diagnostic and therapeutic) to human, data acquisition and electronics, image reconstruction and processing, and the application of artificial intelligence. NIH and DOE are committed to continuing the process of convening a joint workshop every 12-24 months. This Special Report recaps the findings of this second workshop. Beyond showing only the innovations and areas of success, important gaps in our knowledge were defined and presented. We summarize by defining four areas of greatest opportunity and need that emerged from the unique, dynamic dialogue the in-person workshop provided the attendees.

High vacancy formation energy boosts the stability of structurally ordered PtMg in hydrogen fuel cells

Alloys of platinum with alkaline earth metals promise to be active and highly stable for fuel cell applications, yet their synthesis in nanoparticles remains a challenge due to their high negative reduction potentials. Herein, we report a strategy that overcomes this challenge by preparing platinum-magnesium (PtMg) alloy nanoparticles in the solution phase. The PtMg nanoparticles exhibit a distinctive structure with a structurally ordered intermetallic core and a Pt-rich shell. The PtMg/C as a cathode catalyst in a hydrogen-oxygen fuel cell exhibits a mass activity of 0.50 A mgPt−1 at 0.9 V with a marginal decrease to 0.48 A mgPt−1 after 30,000 cycles, exceeding the US Department of Energy 2025 beginning-of-life and end-of-life mass activity targets, respectively. Theoretical studies show that the activity stems from a combination of ligand and strain effects between the intermetallic core and the Pt-rich shell, while the stability originates from the high vacancy formation energy of Mg in the alloy.

Homogenized Modeling of CO2/CO Reduction Catalyst Microenvironments with Intermixed Hydrophobic and Hydrophilic Regions

Electroreduction of CO and CO2 offer a pathway toward renewable-powered synthesis of hydrocarbon chemicals and fuels. Both the composition and the structure of cathodic catalyst microenvironments in gas diffusion electrodes play a dominant role in determining the product composition and efficiency metrics. Porous and hydrophilic copper environments are known to produce multi-carbon species and exhibit large active surface areas, but recent investigations have shown that the inclusion of sporadically-distributed porous hydrophobic regions creates additional pathways for the delivery of gaseous reactants, thereby mitigating transport limitations seen in pure Cu catalysts.As the design space for catalysts has grown to include a wide variety of material and geometric parameters, accurate PDE-based modeling and simulation of such systems has become necessary to understand and optimize the coupled reaction and transport processes that determine cell performance. High fidelity models, however, pose immense computational challenges. Physical and chemical processes occur over a wide variety of spatiotemporal scales, ranging from pore-scale reaction and transport to device-scale gradients in species concentrations. Additionally, the spatial orientation of these features necessitates modeling in multiple dimensions, and transport occurs simultaneously through two phases located within randomly-intermixed porous regions. As a result of all these factors, numerical simulation of high fidelity models is prohibitively expensive.In this work, we develop, numerically simulate, and validate a predictive model that efficiently incorporates a wide range of physical and chemical processes occurring in catalyst microenvironments with intermixed hydrophobic and hydrophilic regions. We employ homogenization as a means of model reduction, constructing a medium fidelity model that captures both microenvironment geometric scales and full device scales in 3D. Our model, coupled with the appropriate numerical methods for treatment of stiff and multi-dimensional problems, permits low-cost exploration of the high-dimensional parameter space associated with recently developed catalysts, offering quantitative insight into the optimal design of microenvironments for CO and CO2 electroreduction.This work is supported by the United States Department of Energy under grant DE-SC0021633.

(Invited) Targeted Research to Develop Next Generation PEM Water Electrolyzers

The utilization of low-carbon intensity hydrogen as an energy carrier promises a path to the decarbonization of sectors including electricity, heavy-duty transportation, and industry at scale. The United States Department of Energy is investing into this opportunity by heavily supporting research and development efforts for hydrogen production at scale. In recent years, the DOE has established the H2NEW consortium which consists of nine national labs and additional partners to focus on the advancement of water electrolysis. It also launched the Hydrogen Energy Earthshot in 2021, targeting the reduction of clean hydrogen production cost by 80% from $5 to $1 per 1 kg H2 produced in 1 decade. For these efforts to be successful, techno-economic analyses are used to identify the research and development areas with the greatest impact, supporting targeted studies on scalable manufacturing and materials that lower capital costs, produce hydrogen efficiently, and enable durable operation over the system lifetime.In this presentation the challenges and trade-offs of electrolyzer operation for renewable hydrogen generation will be reviewed, and results from targeted NREL studies on components, materials and interfaces will be discussed in detail, including for example PTL morphology, PTL coatings, and PTL/catalyst layer interactions and their effect on operation with thin membrane materials, hydrogen crossover and voltage loss contributions. The presentation also touches on any advanced in-situ diagnostic development that was required for the studies, such as high pressure operation, hydrogen crossover quantification, high throughput testing, and spatial diagnostics.

Hydrogen Storage Properties of Metal-Modified Graphene Materials

The absence of adequate methods for hydrogen storage has prevented the implementation of hydrogen as a major source of energy. Graphene-based materials have been considered for use as solid hydrogen storage, because of graphene’s high specific surface area. However, these materials alone do not meet the hydrogen storage standard of 6.5 wt.% set by the United States Department of Energy (DOE). They can, however, be easily modified through either decoration or doping to alter their chemical properties and increase their hydrogen storage capacity. This review is a compilation of various published reports on this topic and summarizes results from theoretical and experimental studies that explore the hydrogen storage properties of metal-modified graphene materials. The efficacy of alkali, alkaline earth metal, and transition metal decoration is examined. In addition, metal doping to further increase storage capacity is considered. Methods for hydrogen storage capacity measurements are later explained and the properties of an effective hydrogen storage material are summarized.

Microstructural Characterization of Porous Transport Layer Coatings

The porous transport layer (PTL) is a key component in polymer electrolyte membrane (PEM) water electrolyzers and serves the role of controlling the transport of reactants and products to and from the anode. Maintaining a low interfacial contact resistance between the titanium (Ti) fiber or sinter PTL and the iridium (Ir) anode catalyst is critical to maintaining the performance of the electrolyzer cell. This requires costly precious metal coatings, typically Pt, to inhibit the formation of native oxide layers during long-term cell operation. Strategies to reducing the thickness of these costly coatings including surface treatments, such as etching and abrasion, alternative low-cost coating materials, and implementation of microporous layers. It is crucial to understanding the morphologies and degradation mechanisms of these new strategies in order to accelerate the development of cheaper, more robust PTL coatings.In this work, correlative ex situ characterization methods, including laser confocal microscopy (LCM), focused ion beam (FIB), scanning electron microscopy (SEM), time-of-flight secondary ion mass spectrometry (ToF-SIMS), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and scanning transmission electron microscopy (STEM), are utilized to explore the impact surface treatments, such as etching and abrasion, on the Pt coatings uniformity and surface roughness. The thickness, local topography, and continuity of the Pt coating were quantified and correlated with interfacial contact resistance and electrochemical cell performance measurements. Changes to the thickness and composition of the coatings and oxide layers after single-cell tests will also be reported. Overall, these findings aim to guide the development of PTL treatments and coatings, ensuring the creation of highly durable and efficient PEM water electrolyzers that align with the U.S. Department of Energy's Hydrogen Shot goal of reducing the cost of clean hydrogen production to $1 per kilogram by 2031.Funding for this work was provided by U.S. Department of Energy Office of Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office through the H2NEW Consortium. Electron microscopy research conducted as part of a user project at the Center for Nanophase Materials Sciences (CNMS), which is a US Department of Energy, Office of Science User Facility at Oak Ridge National Laboratory.

(Invited) Nanowire Catalysts and Adsorbents

The unique properties of nanowire materials like fast charge transport, short diffusion length, controlled surface sites and single crystal nature make them ideal for designing high performance catalysts, adsorbents and electrocatalysts by design. To realize any of these applications, one would need either large quantities of nanowire powders or nanowire arrays on large areas. In this presentation, we will highlight our group’s efforts with scalable methods for continuous manufacturing of nanowire powders and arrays for oxides1 and III-nitride materials.2 The process for producing metal oxide nanowires has been scaled up to ton-scale. The resulting nanowire powders can be used to formulate unique catalyst and adsorbent products.Zinc oxide nanowires alloyed with catalytically active metals and have been formulated into ultra-deep desulfurization catalytic adsorbents.3,4 These materials exhibited ultra-deep desulfurization with sulfur removal down to 1 ppm or below for liquid hydrocarbons (diesel, gasoline and naphthalene) and to less than 1 ppb for natural gas. The desulfurization mechanism does not involve formation of H2S species unlike that typically observed with hydro-desulfurization process involving sulfided catalysts.Titania nanowires supported with nickel and molybdenum clusters have also shown to exhibit high activity and durability as hydro-desulfurization catalysts for removal of sulfur from hydrocarbons by forming H2S.5 The synergistic activity with MoS2 and titania are expected to contribute to enhanced activity with desulfurization.Alloying of nanowires with other elements is also studied to produce compound and alloyed nanowires. Fundamental studies have shown that alloying process occurs at much lower temperatures than decomposition temperatures for precursors used. Alloying studies have clearly shown that the solubility in nanowires to be much more than that expected for bulk materials systems. This presentation will provide several examples in which nanowires were alloyed with elements at compositions more than that expected for thermodynamic solubility.In the case of CO2 sorbents, alkali metal oxide nanowires have shown high capacity for CO2 sorption as high as 75% by wt. The alkali metal oxide nanowires have been alloyed with alkali hydroxides to produce alkali metal oxide compound nanowires. These solid sorbents showed selective CO2 sorption from a variety of streams including air, exhausts containing CO2 at various concentrations. Nanowire geometry for these nanowires allow for non-sinterability, and smaller length scales for rapid diffusion of alkali ions allow for fast kinetics and regenerability. 6,7 Acknowledgements: Authors also acknowledge contributions from Drs. Juan He, Sivakumar Vasireddy, Vivekanand Kumar, Veerendra Atla and Tu Nguyen. Partial support from National Science Foundation (NSF) and US Department of Energy (DOE) EPSCOR programs and full support from NSF and DOE SBIR programs and Kentucky Cabinet for Economic Development for Advanced Energy Materials, LLC are highly appreciated.