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All sources NASA NTRS DOE OSTI

DOE OSTI2022

The impacts of charge transfer, localization, and metallicity on hydrogen retention and transport capacity

Solid state hydrides such as early transition metal hydrides are of inestimable importance for the future of hydrogen energy and are actively being investigated for energy conversion and storage applications such as fuel cells, solid-state batteries and neutron moderators. The retention and transport behavior of hydrogen in these hydrides has a huge role on the extended performance of components. While early transition-metal-based compounds exhibit many peculiar properties due to their unique correlated electronic signatures arising from -orbital electrons, the fundamental chemistry and transport behavior of hydrogen in such hydrides is not well understood. In the present work, using density functional theory, a highly intricate bonding feature is revealed through the theoretical investigation of the electronic structure of early transition metal hydrides YH 2 and ZrH 2 . In particular, a pronounced charge transfer from the transition element to H, results in localized electron densities at deep energy levels. The interplay between intrinsic charge transfer, charge localization, and metallicity in YH 2 and ZrH 2 leads to strong chemical bonding between metal and hydrogen atoms and large energy barriers for the migration of hydrogen vacancies. Specifically, hydrogen vacancies are found to be stable in the neutral state due to electron screening effects, accompanied by substantially high migration barriers between 0.8–1.2 eV along different crystallographic directions. In contrast, recent literature shows the migration barrier for charged H vacancies in insulating s-block metal hydrides lie between 0.1–0.4 eV, which is suitable for fast conduction applications. This pivotal electron structure difference exploited between early transition metal hydrides and alkali/alkaline earth metal hydrides determines extended hydrogen retention in these early transition metal hydrides. Finally, this work explains fundamental differences between the electronic structure of s-block and d-block metal hydrides, and its impact on the mobility of hydrogen vacancies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Upgrade of the Materials Analysis Particle Probe (MAPP-U) to decipher the impact of lithium-based surfaces on NSTX-U plasma behavior

Understanding the plasma wall interaction (PWI) remains a critical issue for the feasibility of thermonuclear magnetic fusion energy solutions. Key issues with PWI mechanisms in fusion tokamak reactors include: evolution of surface chemistry and its role on hydrogen retention. In particular how low-Z coatings such as lithium can impact the behavior of plasma at the edge and in the core. PMI (plasma-material interactions) are particularly important for strategies that involve low-recycling regimes and the use of lithium PFS (plasma-facing surfaces) to attain them, as in the case of NSTX-U. Recent reports have indicated the importance of access to the evolving plasma-facing surface during and in-between plasma discharges. Changes in surface chemistry and morphology due to ion bombardment and the difficulty of diagnosing plasma-facing surfaces, especially reactive surfaces, complicate the development of a predictive understanding of the wall and its interaction with the plasma. Consequently, this impairs the ability to design advanced PFC materials for future plasma-burning fusion reactors and appropriate PMI code validation. The Materials Analysis Particle Probe (MAPP) is an established and on-going PMI probe diagnostic system compatible with the highly chemically reactive system of lithium and boron coatings adopted by the NSTX-U research program. MAPP is the first PMI diagnostic to capture the surface physics and chemistry in-vacuo in a fusion tokamak system and correlate this data to controlled plasma shots. Currently MAPP captures this information at a fixed radial location at the NSTX-U outboard divertor region. The MAPP diagnostic has enabled understanding of the near-surface and surface chemistry of complex evolving lithiated and borated carbon-based PFC surfaces retention and transport of hydrogen. Coupled to atomistic simulations in collaboration with P. Krstic of Stony Brook U. MAPP has been very successful in achieving high-impact scientific research in its current grant period evidenced by two invited review articles and over 20 peer-reviewed manuscripts and over 40 contributed and invited presentations at both national and international conferences.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Back to functional hydrides: Effects of neutron-irradiated microstructure on hydrogen retention in yttrium hydride

Functional hydrides are promising candidates for advanced nuclear reactors, particularly in portable or transportable applications, due to their high hydrogen-retention capabilities, enabling efficient neutron moderation, and compact reactor design. However, hydrogen mobility in hydrides at elevated irradiation temperatures poses significant technological challenges, necessitating a comprehensive understanding of their irradiation behavior. Furthermore, this study investigated the microstructural and chemical stability of neutron-irradiated yttrium hydrides to assess their hydrogen-retention capacity. A targeted literature review was also conducted to contextualize neutron-irradiation effects on functional hydrides with regards to structural stability and hydrogen retention. Experimental characterizations revealed that, at high temperatures, irradiated hydrides retained their phase stability, which was likely enhanced by irradiation-induced microstructure evolution. Notably, an amorphous yttrium and oxygen -rich surface layer was present at the free surface of the hydride. Its thickness decreased while a continuous crystalline Y-O-rich layer was formed with increasing neutron damage. Additionally, the number density of dislocation loops and cavities generally increased as a function of neutron dose. First-principles calculations of hydrogen behavior within yttrium vacancy clusters in yttrium hydrides demonstrated vacancy-size-dependent hydrogen stability and configuration, highlighting the role of vacancy geometry in regulating hydrogen retention. Thus, the presence of irradiation-induced dislocation loops and cavities were hypothesized to improve hydrogen retention. Collectively, these findings advance the understanding of hydride behavior under neutron irradiation as well as their technological readiness for portable or transportable nuclear reactors.

Defect clusters↗

DOE OSTI2025

Hydrogen charging and desorption from microstructural viewpoint: A method for deconvoluting hydrogen desorption spectra and unveiling the hydrogen-microstructure interaction

Understanding the interaction of hydrogen with microstructural features in metallic materials is crucial for designing hydrogen-resistant alloys. Although thermal desorption spectroscopy (TDS) is widely used for investigating the hydrogen binding behavior of various microstructural features, its application to face-centered cubic (fcc) metals and alloys that exhibit low hydrogen diffusivity is limited due to the lumped TDS desorption signals. This paper shows that, by coupling a Sofronis–McMeeking type hydrogen transport model with a microstructure-informed finite-element model, TDS data can be deconvoluted to reveal the underlying adsorption–diffusion–desorption processes, hydrogen diffusivity, and trap-binding energies. In conclusion, the austenitic steel SS316L in solution-annealed condition is used as a demonstration material, and we focused on investigating the interaction of deuterium (hydrogen isotope) with grain boundaries, which is difficult to investigate from experiments alone but critical for design of alloys for hydrogen infrastructure.

Finite element simulation, Polycrystalline Microst↗

DOE OSTI2023

M-Star ® Software Test and Verification

Savannah River Mission Completion (SRMC) currently manages the risk for retained hydrogen in the Defense Waste Processing Facility (DWPF) vessels by implementing a Retained Hydrogen Program. The current program relies on Sludge Batch (SB) 8 Gas Chromatograph data and on conservative assumptions concerning gas release and retention to determine allowable vessel Quiescent time (Q-time). The authors identified M-Star ® CFD as a software that could simulate processes such as fluid flow, heat transfer, species transport, chemical reactions, particle transport, and retained hydrogen gas release. Preliminary simulation results suggest that more realistic assumptions on gas retention and release may be feasible for the DWPF retained hydrogen program. Because of the desire to use the M-Star ® software to perform analyses that support nuclear safety, SRMC has requested Savannah River National Laboratory (SRNL) to upgrade the software classification level of M-Star ® CFD from level D to level A to perform analyses that support nuclear safety.

08 HYDROGEN↗

DOE OSTI2023

High temperature elastic properties of sub-stoichiometric yttrium dihydrides

Yttrium hydrides are considered as candidate materials for neutron moderation applied in microreactors (akin transportable tiny nuclear reactors) owing to their superior thermal stability and hydrogen retention. The evolution of elastic properties of these materials at elevated temperatures, needed for predicting the thermomechanical response and performance of the moderator during in-service reactor conditions, however, is lacking. Here, we report the Young’s and shear elastic moduli of three stoichiometries of bulk yttrium hydride (YH x , x = 1.61, 1.82, and 1.84) from room temperature to 1000°C. In situ temperature-dependent measurements of the longitudinal and shear wave velocities were performed using a laser ultrasonic technique while heating the sample in a vacuum-pumped heating stage. The elastic moduli increased linearly with increasing hydrogen content and decreased by ~10% during heating from room temperature to 1000°C in the three YH x compositions. The linear relationship between the elastic moduli and the hydrogen content in yttrium hydride was verified by atomistic calculations based on density functional theory (DFT). The absence of abrupt changes in the temperature-dependent measurements of elastic modulus of the YH x samples suggested negligible loss of hydrogen at elevated temperatures. Excellent agreement was found between the measured and calculated dependence of the elastic moduli on the stoichiometry, thereby providing a new approach for investigating the effects of fabrication-induced parameters (such as porosity) on the elastic moduli. Furthermore, this study demonstrates the utility of the combined approach involving DFT-based atomistic calculations and measurements of the elastic moduli for the informative development of metal hydrides and can be used as a metric for novel moderator materials investigations for emerging microreactors and beyond.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Sensitivity study of hydrogen Soret transport in yttrium Hydride-Based nuclear fuel

Yttrium hydride is an excellent solid neutron moderator material for high temperature nuclear reactor applications due to its high hydrogen density and exceptional hydride stability at high temperatures. Despite these attractive characteristics, the details of how hydrogen behaves within yttrium hydride while temperature gradients exist are still not well understood. The evolution of the hydrogen composition profile resulting from a temperature gradient requires knowledge of hydrogen’s heat of transport, a critical parameter that has not yet been measured for this material. In this work, we perform hydride redistribution, hydrogen dissociation, and hydrogen leakage calculations while varying the Soret heat of transport of hydrogen in yttrium hydride to elucidate the sensitivity of hydride stability under temperature gradients to this parameter. This study analyzes hydride stability of a hypothetical uranium-yttrium hydride nuclear fuel design during operation of a high temperature liquid metal-cooled nuclear reactor. Assuming U-YH x could be fabricated in a physically stabilized manner, this fuel system can likely maintain hydride stability while operating at very high power densities and temperatures. We find that even though the hydrogen dissociation pressure in the gas gap does vary by several percent as the heat of transport temperature parameter is varied, the hydrogen content in the U-YH x fuel meat is relatively insensitive to this parameter over the course of a high burnup fuel cycle; this is due to yttrium hydride’s excellent hydrogen retention under the high temperature conditions considered here. Here, this suggests that hydride stability analyses are insensitive to the value of the Soret heat of transport in U-YH x under steady state liquid metal-cooled reactor conditions. However, the susceptibility to internal gas overpressurization-induced stress-rupture of the cladding during a high temperature transient is more sensitive to this parameter due to the non-linear dependence of hydrogen gas dissociation pressure vs. composition and temperature.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Deuterium transport and retention properties of representative fusion blanket structural materials

Reduced activation ferritic-martensitic (RAFM) steels have been developed for decades for use as fusion blanket structural materials, and have advantages in both mechanical properties and irradiation resistance following careful engineering of the microstructure. However, the hydrogen isotope behavior in these proposed fusion structural materials is not well understood, but is important to assess since it impacts the fusion reactor safety and self-sufficient tritium fuel cycle. Here, we investigated deuterium transport and retention in representative advanced RAFM steels, including castable nanostructured alloys (CNAs), and oxide-dispersion-strengthened (ODS) steels. A gas-driven permeation (GDP) system was used to measure the permeability, diffusivity and solubility of the studied materials, covering the temperature range from 623 K to 873 K, and the loading pressures from 1.8 x 10 4 to 1.0 x 10 5 Pa. The results indicated that the deuterium permeability has little material dependence. In contrast, the deuterium diffusivity of the studied materials showed significant variation. The deuterium diffusivity in ODS steels is one order of magnitude lower than that in RAFM steels and CNAs, and correspondingly, have an effective solubility that is 2–10 times larger than RAFM steels and CNAs. In addition, thermal desorption spectroscopy (TDS) measurements were performed to assess the deuterium retention and desorption of these materials following a static thermal deuterium charging at 723 Kfor 1 hour under the deuterium pressure of 1.0 x 10 5 Pa. It was found that ODS steels exhibit the highest deuterium retention and have broader desorption peaks. Microstructural features contributing to deuterium retention and impacting deuterium transport are discussed to rationalize the observed deuterium behavior in the studied RAFM steels.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Elucidating hydrogen isotope transport mechanisms in proton-conducting ceramics with trapping effects using TMAP8

Hydrogen isotopes play an central role in many science and engineering applications such as fuel cells, hydrogen production, and fusion energy. For these applications, hydrogen separation and extraction applications are pivotal aspects of hydrogen transports, where proton-conducting ceramics (PCCs) have shown great potential. In this study, we propose a new model for hydrogen isotope transport in PCC materials, BaZr 0.9 Y 0.1 O 2.95 (BZY) in particular, which captures behavior in both dry and wet environments. The model expands previous efforts and considers diffusion, trapping, and surface reactions (i.e., dissociation and recombination). We then validate and calibrate the model using deuterium transport measurements from experiments in both dry and wet environments. This study highlights the key role of trapping, often neglected, on hydrogen isotope transport in BZY and other PCC materials. It also explains how the commonly observed discrepancy between dry and wet behavior can be attributed to more active surface reactions and saturated traps due to the increased hydrogen presence under the wet environment. These results provide insights to optimize PCC manufacturing and usage as a hydrogen separation and extraction technology in various fields, emphasizing that lowering the trapping can reduce hydrogen isotope retention. These modeling and calibration efforts are performed using the tritium migration analysis program, version 8 (TMAP8), an open-source application designed for hydrogen isotope transport.

36 - MATERIALS SCIENCE↗

DOE OSTI2023

Impact of Soret effect on hydrogen and helium retention in PFC tungsten under ELM-like conditions

Abstract In our previous work, we have demonstrated using nonequilibrium molecular-dynamics simulations that the fluxes of helium and self-interstitial atoms in the presence of a thermal gradient in tungsten are directed opposite to the heat flux, indicating that species transport is governed by a Soret effect, namely, thermal-gradient-driven diffusion, characterized by a negative heat of transport that drives species transport uphill, i.e. from the cooler to the hot regions of the tungsten sample. In this work, the findings of our thermal and species transport analysis have been implemented in our cluster-dynamics code, Xolotl, which has been used to compute temperature and species profiles over spatiotemporal scales representative of plasma-facing component (PFC) tungsten under typical reactor operating conditions, including extreme heat loads at the plasma-facing surface characteristic of plasma instabilities that induce edge localized modes (ELMs). We demonstrate that the steady-state species profiles, when properly accounting for the Soret effect, vary significantly from those where temperature-gradient-driven transport is not accounted for and discuss the implications of such a Soret effect on the response to plasma exposure of plasma-facing tungsten. Although our cluster-dynamics simulations do not yet include self-clustering of helium or hydrogen blister formation, our simulation results show that the Soret effect substantially reduces helium and hydrogenic species retention inside PFC tungsten.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Plasma Facing Component Characterization and Correlation With Plasma Conditions in Lithium Tokamak Experiment-β

Lithium coatings in the Lithium Tokamak eXperiment (LTX) led to flat temperature profiles. The flat temperature profiles were observed along with a hot, low density edge, implying a broad, collisionless scrape-off layer (SOL). Additionally, in vacuo X-ray photoelectron spectroscopy (XPS) measurements established that lithium coatings evaporatively deposited onto high-Z plasma facing components (PFCs) became oxidized while retaining the ability to achieve good plasma performance long after lithium was applied to the PFCs. Longstanding theory predicted flat temperature profiles with low recycling walls, which was presumed to be due to hydrogen binding with elemental lithium to form lithium hydride. The presence of oxidized lithium, however, raised questions regarding the exact mechanism of hydrogen retention in LTX. To investigate these questions, the upgraded facility LTX- β includes a new sample exposure probe (SEP) for more detailed in vacuo analysis of PFC samples. The SEP is equipped with a vacuum suitcase capable of transporting samples representative of the LTX- β outer midplane PFCs to a stand-alone XPS system while maintaining pressures lower than the LTX- β base vacuum to limit the contamination between sample exposure and analysis. The low-energy resolution XPS system used in past experiments could only enable the determination of elemental percentages on the PFC sample surfaces. Because the new XPS system has higher energy resolution, it is more direct to assign chemical compounds to the measured binding energies. This capability has been confirmed by comparing XPS data from PFC test samples with measurements using a commercial high-resolution XPS system. Quartz crystal microbalances (QCMs) were used to quantify the thickness of the deposited lithium on the LTX- β PFCs. This article describes the application of the SEP to characterize the PFC surfaces using XPS and their relationship to plasma conditions.

Maan, Anurag↗

DOE OSTI2023

Report on the Incorporation of Post-Irradiation Examination Results of Yttrium Hydride for Advanced Moderator Handbook

Department of Energy’s (DOE’s) Microreactor program (MRP) aims to provide the fundamental data to enable the development of microreactors. As such, material property data of critical materials for microreactor technologies are researched. Because substoichiometric yttrium dihydride (YHx, where x<2) is considered as a potential solid neutron moderator, its material property data has been combined in the Advanced Moderator Material Handbook which includes thermodynamic and thermophysical properties of YHx with the exception of irradiated material’s properties due to limited PIE. To fill the knowledge gap for the irradiated YHx, specimens and irradiation capsules were prepared at Los Alamos National Laboratory (LANL). Specimens were irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory’s (INL’s). post-irradiation examination (PIE) was performed at INL’s Materials and Fuels Complex (MFC). This report compiles the PIE results of irradiated YHx specimens through fiscal years 2022 and 2023 (FY22-23) . The PIE data will directly be incorporated into the newer version of the Advanced Moderator Material Handbook. The main takeaways include that (i) the geometrical stability and mechanical integrity of YHx was intact with couple exceptions after high-temperature irradiations (600-800°C), (ii) hydrogen content variation due to manufacturing or irradiation in YHx caused visible surface discoloration, that is also related to the microstructural changes, (iii) qualitative comparisons of PIE methods implied that H retention was significantly higher at 600°C as compared to 800°C, (iv) thermal properties included signatures correlated with the H loss or re-gain, (v) importance of manufacturing readiness and initial as-manufactured specimens history was emphasized, (vi) the needs of targeted irradiations focusing on temperature and time parameters and very targeted PIE were specified.

08 HYDROGEN↗

DOE OSTI2025

Deuterium Extraction from Helium with a Vanadium Vacuum Permeator: Commissioning of the Tritium Extraction eXperiment (TEX)

Here, the Tritium Extraction eXperiment (TEX) is a forced-convection lead-lithium (PbLi) loop in the Safety and Tritium Applied Research (STAR) facility at Idaho National Laboratory (INL) with the purpose of providing validation data for the vacuum permeator tritium extraction concept. A vanadium tube of 1000 mm length, 12.7 mm outside diameter, and 0.50 mm wall thickness is installed in the test section of TEX. The installed vanadium tube is characterized to quantify impurity concentrations, surface chemistry, and microstructure to elucidate permeation phenomena observed in experimentation. Herein, the permeation properties of the vanadium tube are characterized by measuring deuterium permeation at 300 °C, 325 °C, and 350 °C at 100 kPa, 125 kPa, and 150 kPa total pressures with 5000 ppm deuterium in helium gas mixture in a once-through flow configuration. The hydrogen isotope permeation through the vanadium tube in the test section is measured with quadrupole mass spectrometers and the hydrogen isotope concentration in the feed and retentate gas stream is measured with gas chromatography. The transient permeation results are modeled with MELCOR-TMAP, a thermal-hydraulic tritium transport code, and compared well with literature data.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Characterization of the microstructure of yttrium hydride under proton irradiation

High moderation per unit volume solid moderator materials like yttrium hydride (YH x ) are necessary for compact nuclear microreactors. However, the phase stability and hydrogen transport processes of YH x under high-temperature irradiation are largely unknown. Proton irradiation was conducted on YH x at 300 °C and 580 °C to 0.2 dpa using 1 MeV or 2 MeV protons in a high-vacuum environment. The hydrogen concentration was determined before and after irradiation using elastic recoil detection analysis, and microstructural evolution was examined via post-irradiation scanning transmission electron microscopy and Raman spectroscopy. Dislocation loops and cavities were observed in all conditions; their distribution was correlated with the bombarding proton energy and ion irradiation temperature. This work revealed that hydrogen retention is proportional to the formation of traps for hydrogen gas atoms and identified pathways for hydrogen release. The relative contributions of bulk or fast diffusion paths, such as grain boundaries, delamination boundaries, and stacking faults are discussed; the primary mechanisms of hydrogen loss are likely based on diffusion, ruling out artefacts of the experimental design. In conclusion, the study suggests proton irradiation may be a strong surrogate to study hydrogen transport in hydride moderator materials under irradiation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2008

Fuel-Cell Electrolytes Based on Organosilica Hybrid Proton Conductors

A new membrane composite material that combines an organosilica proton conductor with perfluorinated Nafion material to achieve good proton conductivity and high-temperature performance for membranes used for fuel cells in stationary, transportation, and portable applications has been developed. To achieve high proton conductivities of the order of 10(exp -1)S/cm over a wide range of temperatures, a composite membrane based on a new class of mesoporous, proton-conducting, hydrogen-bonded organosilica, used with Nafion, will allow for water retention and high proton conductivity over a wider range of temperatures than currently offered by Nafion alone. At the time of this reporting, this innovation is at the concept level. Some of the materials and processes investigated have shown good proton conductivity, but membranes have not yet been prepared and demonstrated.

Narayan, Sri R.↗

DOE OSTI2021

Plasma–surface interaction in the stellarator W7-X: conclusions drawn from operation with graphite plasma-facing components

W7-X completed its plasma operation in hydrogen with island divertor and inertially cooled test divertor unit (TDU) made of graphite. A substantial set of plasma-facing components (PFCs), including in particular marker target elements, were extracted from the W7-X vessel and analysed post-mortem. The analysis provided key information about underlying plasma–surface interactions (PSI) processes, namely erosion, transport, and deposition as well as fuel retention in the graphite components. The net carbon (C) erosion and deposition distribution on the horizontal target (HT) and vertical target (VT) plates were quantified and related to the plasma time in standard divertor configuration with edge transform ι = 5/5, the dominant magnetic configuration of the two operational phases (OP) with TDU. The operation resulted in integrated high net C erosion rate of 2.8 mg s -1 in OP1.2B over 4809 plasma seconds. Boronisations reduced the net erosion on the HT by about a factor 5.4 with respect to OP1.2A owing to the suppression of oxygen (O). In the case of the VT, high peak net C erosion of 11μm at the strike line was measured during OP1.2B which converts to 2.5 nm s -1 or 1.4 mg s -1 when related to the exposed area of the target plate and the operational time in standard divertor configuration. PSI modelling with ERO2.0 and WallDYN-3D is applied in an interpretative manner and reproduces the net C erosion and deposition pattern at the target plates determined by different post-mortem analysis techniques. This includes also the 13 C tracer deposition from the last experiment of OP1.2B with local 13 CH 4 injection through a magnetic island in one half module. The experimental findings are used to predict the C erosion, transport, and deposition in the next campaigns aiming in long-pulse operation up to 1800 s and utilising the actively cooled carbon-fibre composite (CFC) divertor currently being installed. The CFC divertor has the same geometrical design as the TDU and extrapolation depends mainly on the applied plasma boundary. Extrapolation from campaign averaged information obtained in OP1.2B reveals a net erosion of 7.6 g per 1800 s for a typical W7-X attached divertor plasma in hydrogen.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Effects of Synthesis Conditions on the Structure and Conductivity of Hydrogen-Substituted Graphdiyne

This study investigates how synthesis conditions influence the structure and conductivity of hydrogen-substituted graphdiyne (HsGDY). By varying the reaction temperature and solvent, we find that small changes in conditions markedly affect triple-bond retention and electronic continuity. Solid-state 13 C NMR and Raman spectroscopy reveal that elevated temperatures drive alkyne loss and partial graphitization, with N,N-dimethylformamide (DMF) promoting faster degradation than pyridine. The resulting decline in alkyne content directly correlates with reduced conductivity, indicating that preserving conjugation is essential for charge transport. These findings clarify how the synthetic environment governs the structural and electronic evolution of graphdiyne frameworks, providing insight into the controlled preparation of conjugated carbon networks.

alkyne retention↗

DOE OSTI2026

Quantification of [MTBD][beti] loading and its effects on Pt/HSC electrode performance in hydrogen fuel cells

High surface area carbon-supported platinum catalysts (Pt/HSC) are widely used in polymer electrolyte membrane fuel cells but often suffer from limited proton and oxygen transport within porous domains. To address these challenges, we integrate the ionic liquid [MTBD][beti] into Pt/HSC catalyst layers using two deposition methods-one-pot and sequential deposition-to tune IL distribution within micropores and mesopores. A combination of ex situ and in operando techniques were employed to elucidate electrode structure-performance relationships across a range of IL loadings. Sequential deposition achieved more efficient pore filling and higher IL retention at lower IL:C ratios, enabling enhanced proton conductivity and protection of active sites. Compared to the IL-free Pt/HSC, IL-modified electrodes demonstrated up to 28% improvement in mass activity and enhanced high-current-density performance under low relative humidity, while maintaining comparable performance under humidified conditions. Electrochemical impedance spectroscopy and CO displacement experiments reveal that improvements are linked to reduced ionic resistance and lower sulfonate adsorption on Pt sites, rather than changes in electrochemical surface area. However, excessive IL loading leads to mass transport losses. These results highlight the importance of selective pore filling and efficient IL distribution in achieving kinetic gains without compromising ionic and gas transport.

08 HYDROGEN↗