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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Mitigating Hydrogen-Induced Degradation of Iridium Anodes in Proton Exchange Membrane Water Electrolyzers

One promising method for reducing precious metal usage in proton exchange membrane water electrolysis is lowering iridium (Ir) loading at the anode. However, low-loading Ir catalysts often suffer from poor stability under high current densities. In this study, hydrogen (H2) crossover from the cathode to the anode is identified as a key degradation pathway. Temperature-programmed reduction confirms the reduction of IrO2 at 80 °C in a hydrogen environment, highlighting the vulnerability of IrO2-based catalysts to H2 exposure. To mitigate this effect, palladium (Pd) is introduced as an anode additive, acting as an H2 oxidation catalyst and mitigating IrO2 reduction. This protective role is verified by inductively coupled plasma optical emission spectroscopy and in situ X-ray absorption spectroscopy, showing significantly suppressed Ir dissolution at 80 °C under H2 flow when an O-covered Pd surface is present at oxygen evolution reaction potentials. Results from the current study identify a new strategy in improving activity and durability of catalysts in electrolyzers.

58 GEOSCIENCES↗
DOE OSTI2025

Strong Coupling of Iridium and Boron–Carbon-Nitride Support for Enhanced Acidic Water Oxidation

Supporting iridium (Ir)-based materials on stable and suitable substrates is an efficient strategy to improve their catalytic performance for the oxygen evolution reaction (OER) in harsh acidic environments. Herein, we report a series of Ir catalysts supported on boron–carbon-nitride (BCN), denoted as Ir/BCN. Detailed experiments combined with density functional theory calculations demonstrate strong interactions between Ir nanoparticles (NPs) and the BCN support, significantly contributing to the improved OER performance. Among the synthesized catalysts, the Ir/BCN-75 catalyst outperforms commercial Ir black and IrO 2 in both half-cell and proton exchange membrane water electrolysis (PEMWE) tests. Specially, the Ir/BCN-75 catalyst achieves a high current density of 2.94 A cm –2 at 1.9 V with a low Ir loading of 0.26 mg cm –2 in PEMWE measurements, exceeding most Ir-based catalysts reported to date. The BCN support interacts strongly with Ir, wherein Ir–N bonding directs the Ir NP growth and enhances electrocatalytic activity, while Ir–B bonding contributes to the stability of the Ir/BCN catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Electrospun Ti–Zr Oxide Heterostructures Enable Strongly Anchored Ultralow-Ir Anodes for Durable Acidic Oxygen Evolution

Proton-exchange-membrane water electrolysis (PEMWE) requires acidic oxygen-evolution-reaction (OER) anodes that combine high activity, high durability, and low Ir loading. Here, we report a Ti-Zr composite electrospun oxide (ESO) nanorod support that enables ultralow-Ir anodes for high-performance PEMWE. Zr-containing Ti oxide heterostructures stabilize anatase-rich TiO2, tune the local oxygen-coordination environment, and strengthen interfacial anchoring of IrOx under acidic anodic conditions. The electrospun nanorod network further creates an open, mechanically coherent catalyst layer that improves Ir utilization, ionomer penetration, and mass transport. At an anode loading of 0.2 mgIr cm-2, the optimized Ir/TiZr20-ESO anode delivers a PEMWE mass activity of 0.99 A mgIr-1 at 1.45 V, 28.3 and 43.0 times higher than commercial Ir black and commercial IrO2/TiO2, respectively. The same anode reaches 3.0 and 4.0 A cm-2 at 1.75 and 1.83 V, respectively, and sustains 2000 h operation at 2.0 A cm-2. Also, accelerated stress tests up to 525 hours over 31,500 cycles confirm promising long-term durability, with an insignificant performance decay of 0.4 μV per cycle. Density functional theory indicates that the Ti-Zr oxide heterostructure suppresses Ti demetallation and strengthens IrO2 interfacial binding, rationalizing the improved high-current-density stability.

25 ENERGY STORAGE↗
DOE OSTI2021

Spin pinning effect to reconstructed oxyhydroxide layer on ferromagnetic oxides for enhanced water oxidation

Producing hydrogen by water electrolysis suffers from the kinetic barriers in the oxygen evolution reaction (OER) that limits the overall efficiency. With spin-dependent kinetics in OER, to manipulate the spin ordering of ferromagnetic OER catalysts (e.g., by magnetization) can reduce the kinetic barrier. However, most active OER catalysts are not ferromagnetic, which makes the spin manipulation challenging. In this work, we report a strategy with spin pinning effect to make the spins in paramagnetic oxyhydroxides more aligned for higher intrinsic OER activity. The spin pinning effect is established in oxideFM/oxyhydroxide interface which is realized by a controlled surface reconstruction of ferromagnetic oxides. Under spin pinning, simple magnetization further increases the spin alignment and thus the OER activity, which validates the spin effect in rate-limiting OER step. The spin polarization in OER highly relies on oxyl radicals (O∙) created by 1 st dehydrogenation to reduce the barrier for subsequent O-O coupling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Size effects and active state formation of cobalt oxide nanoparticles during the oxygen evolution reaction

Water electrolysis is a key technology to establish CO 2 -neutral hydrogen production. Nonetheless, the near-surface structure of electrocatalysts during the anodic oxygen evolution reaction (OER) is still largely unknown, which hampers knowledge-driven optimization. Here using operando X-ray absorption spectroscopy and density functional theory calculations, we provide quantitative near-surface structural insights into oxygen-evolving CoO x (OH) y nanoparticles by tracking their size-dependent catalytic activity down to 1 nm and their structural adaptation to OER conditions. We uncover a superior intrinsic OER activity of sub-5 nm nanoparticles and a size-dependent oxidation leading to a near-surface Co–O bond contraction during OER. We find that accumulation of oxidative charge within the surface Co 3+ O 6 units triggers an electron redistribution and an oxyl radical as predominant surface-terminating motif. This contrasts the long-standing view of high-valent metal ions driving the OER, and thus, our advanced operando spectroscopy study provides much needed fundamental understanding of the oxygen-evolving near-surface chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Concentrating on solar for hydrogen

Hydrogen generated by sunlight could play a major role in a low-carbon future, but high-efficiency demonstrations have been limited mostly to very small scales. New research now evaluates a complete system that generates 0.5 kg of hydrogen per day with 20% device (5.5% system) efficiency while showing the benefits of coupled light absorption and water electrolysis.

08 HYDROGEN↗
DOE OSTI2025

Decoupling the catalytic and degradation mechanisms of cobalt active sites during acidic water oxidation

Advancement of iridium-free catalysts for the low-pH oxygen evolution reaction (OER) is required to enable multi-gigawatt-scale proton-exchange water electrolysis. Cobalt-based materials might address this requirement, but little is known about the mechanism of operation of these OER catalysts at low pH. Here we investigate the nature and evolution of the active cobalt sites along with charge- and mass-transfer processes that support their catalytic function within a cobalt–iron–lead oxide material using in situ spectroscopic, gravimetric and electrochemical techniques. We demonstrate that corrosion of the cobalt sites and their reformation through electrooxidation of dissolved Co 2+ do not affect the catalytic mechanism and are decoupled from the OER. The OER-coupled charge transfer is supported by Co (3+δ)+ -oxo-species, which are structurally different from those reported for alkaline/near-neutral conditions and are formed on a relatively slow timescale of minutes. These mechanistic insights might assist in developing genuinely practical catalysts for this vital technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Mitigation of hydrogen crossover in liquid alkaline water electrolysers using gas recombination catalysts

The rising demand for hydrogen calls for improvements in the efficiency of liquid alkaline water electrolysers (LAWEs), which can be fulfilled by advanced electrodes or separators. Nevertheless, they also intensify hydrogen crossover and safety concerns, thus mandating efficient mitigation strategies. Here we studied the correlation between cathodes and hydrogen crossover behaviours and mitigated safety risks by designing a gas recombination catalyst (GRC). We attribute the elevated hydrogen crossover associated with platinum-based cathodes to their preferential utilization for the hydrogen evolution reaction that creates elevated hydrogen supersaturation, as evidenced by direct measurements of dissolved hydrogen concentration. Varying the placement of platinum layers relative to the cathode–separator interface also supports this conclusion. The implementation of a GRC reduces hydrogen crossover by 95% without affecting LAWE performance and functions for over 1,000 h at 1 A cm−2. This study provides insights into hydrogen supersaturation and the crossover mechanism, as well as offering a promising pathway to enhance the efficiency and reliability of alkaline water electrolysis.

Liu, Haotian↗
DOE OSTI2025

Co-sputtered CuNi heteroatomic electrocatalyst for enhanced 5-hydroxymethylfurfural selective electrochemical conversion

The electrochemical conversion of biomass-derived 5-hydroxymethylfurfural (HMF) represents a promising, economically viable, and environmentally sustainable approach for producing value-added chemicals using renewable energy and in situ hydrogen generated through water electrolysis. However, the electrochemical hydrogenation (ECH) of HMF remains challenging due to the inherently low catalytic activity and selectivity of the electrodes, compounded by competition with the kinetically favored hydrogen evolution reaction (HER) in aqueous electrolytes. In this work, we demonstrate that Cu x Ni 100−x heteroatomic thin films, fabricated via direct current (DC) magnetron co-sputtering, achieve a more than one order of magnitude increase in the HMF to 2,5-Bis-hydroxymethylfuran (BHMF) conversion rate, with nearly 50% faradic efficiency (FE) for BHMF, when compared to pure Cu and Ni electrodes (~ 10% BHMF FE). Our results suggest that the synergistic interaction between Cu and Ni creates an optimal catalytic environment for both HMF and adsorbed hydrogen (H ads ) species, thereby enhancing BHMF formation through the ECH pathway.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Precious metal-free solar-to-fuel generation: SSM-DSCs powering water splitting with NanoCOT and NiMoZn electrocatalysts

A precious metal-free sequential series multijunction dye-sensitized solar cell (SSM-DSC)-powered water electrolysis system is shown using NanoCOT and NiMoZn electrodes. Furthermore, a stable 3.9% solar-to-hydrogen (STH) efficiency is achieved using a recently reported black organic dye and graphene electrodes for DSCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electrochemical pH regulation in droplet microfluidics

Here we report a method for electrochemical pH regulation in microdroplets generated in a microfluidic device. The key finding is that controlled quantities of reagents can be generated electrochemically in moving microdroplets confined within a microfluidic channel. Additionally, products generated at the anode and cathode can be isolated within descendant microdroplets. Specifically, ~5 nL water-in-oil microdroplets are produced at a T-junction and then later split into two descendant droplets. During splitting, floor-patterned microelectrodes drive water electrolysis within the aqueous microdroplets to produce H + and OH - . This results in a change in the pHs of the descendant droplets. The droplet pH can be regulated over a range of 5.9 to 7.7 by injecting controlled amounts of charge into the droplets. When the injected charge is between -6.3 and 54.5 nC nL -1 , the measured pH of the resulting droplets is within ±0.1 pH units of that predicted based on the magnitude of the injected charge. This technique can likely be adapted to electrogeneration of other reagents within microdroplets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Techno-economic performances and life cycle greenhouse gas emissions of various ammonia production pathways including conventional, carbon-capturing, nuclear-powered, and renewable production

Ammonia (NH 3 ) is conventionally produced using fossil natural gas (NG) for hydrogen production through steam reformation and synthesis in the Haber–Bosch (HB) process. The global conventional ammonia production contributes more than 420 million tons of CO 2 emissions annually. Here, in this work, we investigated the techno-economics and well-to-plant-gate (WTG) greenhouse gas (GHG) emissions of conventional NG-based, carbon-capturing, nuclear-powered, and renewable ammonia production by developing an engineering process model for each. Carbon-capturing ammonia production refers to the NG-based ammonia production while capturing CO 2 and transporting it via pipelines for storage or utilization. Nuclear-powered and renewable ammonia production represents an alternative ammonia production through water electrolysis, air separation, and the HB process using carbon-free energy sources. Nuclear and renewable energy sources are assumed to be used for nuclear-powered and renewable ammonia production, respectively. Sensitivity analyses are performed for CO 2 pipeline transport distances, potential carbon capture tax credits, and clean H 2 production cost. Carbon-capturing ammonia production reduces WTG GHG emissions by 55–70% compared to conventional NG-based ammonia production methods. Nuclear-powered and renewable ammonia production almost eliminate GHG emissions since energy supply is either zero carbon or near-zero carbon. However, when $4.16–4.83 per kg is the cost assumed for clean H 2 production using state-of-the-art electrolysis technologies, the levelized costs of nuclear-powered and renewable ammonia are calculated to be $0.92–1.06 per kg NH 3 , which are approximately four times higher than the conventional NG-based ammonia production cost. The cost of CO 2 emission avoidance is estimated in the range of $266–318 per metric ton of CO 2 for nuclear-powered and renewable ammonia production. The clean H 2 production cost is the major contributor to the levelized costs of nuclear-powered and renewable ammonia production. A lower production cost, near $1 per kg H 2 , for clean H 2 is required for nuclear-powered and renewable ammonia production to be cost-competitive with conventional NG-based ammonia production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Correlation between oxygen evolution reaction activity and surface compositional evolution in epitaxial La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ thin films

Water electrolysis can use renewable electricity to produce green hydrogen, a portable fuel and sustainable chemical precursor. Improving electrolyzer efficiency hinges on the activity of the oxygen evolution reaction (OER) catalyst. Earth-abundant, ABO 3 -type perovskite oxides offer great compositional, structural, and electronic tunability, with previous studies showing compositional substitution can increase the OER activity drastically. However, the relationship between the tailored bulk composition and that of the surface, where OER occurs, remains unclear. Here, we study the effects of electrochemical cycling on the OER activity of La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ ( x = 0–0.5) epitaxial films grown by oxide molecular beam epitaxy as a model Sr-containing perovskite oxide. In this work, electrochemical testing and surface-sensitive spectroscopic analyses show Ni segregation, which is affected by electrochemical history, along with surface amorphization, coupled with changes in OER activity. Our findings highlight the importance of surface composition and electrochemical cycling conditions in understanding OER performance, suggesting common motifs of the active surface with high surface area systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Scalable electrified cementitious materials production and recycling

The production of Portland cement, the industry-standard cement, contributes ~8% of global CO 2 emissions through fossil-fuel heating and decomposition of limestone (the primary cement raw material). Decarbonization, e.g., via direct electrification, of this 200-year-old liming routine is extremely challenging at the industry scale. We propose a scalable electrochemical decarbonization approach to circumvent the limestone use by switching to carbon-free calcium silicates from abundant minerals and recycled concrete. Water electrolysis produces protons and hydroxides to drive a pH gradient that accelerates Ca 2+ ion leaching from calcium silicates and captures atmospheric CO 2 to form carbon-negative CaCO 3 , which serves as the feedstock for cement manufacturing or as the carbon-mineralized product for cement substitution with permanent carbon storage. Value-added co-products amorphous silica and green H 2 further enhance cement performance and supplant fossil fuels for net-zero transition, respectively. The products readily meet present-day regulatory standards and demands, and the approach readily synergizes with business-as-usual cement manufacturing and concrete construction, which are important for upscaling and structural safety, promising ready reception by the public and industries. Blended Portland cement produced through our approach with carbon-negative CaCO 3 and silica demonstrates enhanced resilience and achieves carbon neutrality or negativity when incorporating storage or circulation of CO 2 from cement plant flue gas, respectively. This low-cost, electrochemical cement production approach using abundant ubiquitous raw materials enables electrification, transition to clean fuel, and decarbonization at a gigaton scale.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ultra-stable and poison tolerant oxygen evolution activity enabled by surface In 2 O 3- x (OH) y of Co 3 In 2 S 2 large single crystals

Water is an earth-abundant source for clean hydrogen production via electrochemical water electrolysis (WE). However, the surface poisoning that occurs in aqueous electrolytes drastically deactivates the electrocatalytic performance of electrodes. Here, in this study, we report electrochemically formed In 2 O 3-x (OH) y on the surface of a large (1–1.5 mm long, 0.5–0.6 mm wide and 0.3–0.5 mm thick) single crystal of Weyl semimetal Co 3 In 2 S 2 (Co 3 In 2 S 2 /In 2 O 3-x (OH) y ) as an ultra-stable and poison tolerant electrode for the oxygen evolution reaction (OER) in 1 M KOH, addressing a bottleneck in WE. The OER activity of the powder form of Co 3 In 2 S 2 is limited by its aerophilic nature. Remarkably, the single-crystal electrodes maintained their high activity for a continuous operational period of 5 h in 1 M KOH electrolyte with/without 10 mM strong surface-poisoning ligands i.e., potassium cyanide, bipyridine, and ethylenediaminetetraacetate disodium salt. The electrodes exhibited stable OER activity for 1000 h at 100 mA cm -2 (1.73 V vs. RHE). The temperature-dependent OER polarization curves (10–70 °C) unambiguously revealed surface poisoning through the suppression of precatalytic Co-redox peaks on the bipyridine poisoned electrode, which led to the stabilization of surface Co-sites. The X-ray photoelectron spectroscopy analyses of pristine, poisoned and post-electrocatalytic single-crystal Co 3 In 2 S 2 electrodes revealed the existence of an In 2 O 3-x (OH) y surface phase, which could be the potential heterostructure for the origin of ultra-stable and poison tolerant OER activity.

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

Faceted NiO(111) nanosheets: morphological and catalytic evolution for the oxygen evolution reaction

The renaissance of the energy system through the use of green hydrogen by water electrolysis lies behind the development of abundant, active, and scalable catalysts for the oxygen evolution reaction (OER). A fundumental understanding of the surface properties for these materials is of vital importance in producing viable heterogenous catalysts. In this feature article, we summarize several years of collaborative work on a uniquely faceted NiO(111) nanosheet possessing hexagonal holes with a focus on understanding how the evolution of the catalyst surface and bulk composition effects OER performance. The importance of surface faceting, morphological evolution, and metal combination by different doping strategies are all analyzed and summarized to further improve the material's performance. Furthermore, microwave and supercritical synthesis processes are utilized to understand how varying wet-chemical techniques effect the formation of the NiO(111) nanosheet and activity of the material. We discuss our chosen strategies and the difficulties encountered with optimizing a catalyst surface for the OER.

08 HYDROGEN↗
DOE OSTI2026

Sequential surface synthesis of dispersed sub-nanometer iridium on titanium nitride for acidic water oxidation

Maximizing iridium utilization while maintaining high oxygen evolution reaction (OER) performance remains a persistent challenge in acidic water electrolysis. Immobilizing Ir on conductive, acid-stable supports is promising, yet simultaneously achieving sub-nanometer size, high area coverage, and strong electronic coupling is difficult. Here, we report a sequential surface synthesis on titanium nitride (TiN) that yields uniformly distributed sub-nanometer Ir arrays (∼0.7 nm). Our method uses ethylenediaminetetraacetic acid (EDTA) as a temporal scaffold: it chemisorbs to TiN to install dense chelating sites, captures Ir 3+ ions, and confines Ir cluster growth. A subsequent thermal treatment at 500 °C in a reducing atmosphere removes the ligand shell, while preserving ultrasmall particle size and establishing direct Ir–TiN electronic coupling. The optimized catalyst exhibits mixed Ir 0 /Ir x+ coordination with low charge-transfer resistance (R ct = 19.2 Ω), delivering a mass activity of 342 A g Ir −1 at 1.54 V in acidic electrolyte. In situ X-ray absorption spectroscopy reveals irreversible surface oxidation as the primary stability-limiting factor. This stepwise strategy provides a general framework for supported catalysts that maximize precious metal utilization via sub-nanometer dispersion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Seawater alkalization via an energy-efficient electrochemical process for CO 2 capture

Electrochemical pH-swing strategies offer a promising avenue for cost-effective and energy-efficient carbon dioxide (CO 2 ) capture, surpassing the traditional thermally activated processes and humidity-sensitive techniques. The concept of elevating seawater’s alkalinity for scalable CO 2 capture without introducing additional chemical as reactant is particularly intriguing due to its minimal environmental impact. However, current commercial plants like chlor-alkali process or water electrolysis demand high thermodynamic voltages of 2.2 V and 1.23 V, respectively, for the production of sodium hydroxide (NaOH) from seawater. These high voltages are attributed to the asymmetric electrochemical reactions, where two completely different reactions take place at the anode and cathode. Here, we developed a symmetric electrochemical system for seawater alkalization based on a highly reversible and identical reaction taking place at the anode and cathode. We utilize hydrogen evolution reaction at the cathode, where the generated hydrogen is looped to the anode for hydrogen oxidation reaction. Theoretical calculations indicate an impressively low energy requirement ranging from 0.07 to 0.53 kWh/kg NaOH for established pH differences of 1.7 to 13.4. Experimentally, we achieved the alkalization with an energy consumption of 0.63 kWh/kg NaOH, which is only 38% of the theoretical energy requirements of the chlor-alkali process (1.64 kWh/kg NaOH). Further tests demonstrated the system’s potential of enduring high current densities (~20 mA/cm 2 ) and operating stability over an extended period (>110 h), showing its potential for future applications. Notably, the CO 2 adsorption tests performed with alkalized seawater exhibited remarkably improved CO 2 capture dictated by the production of hydroxide compared to the pristine seawater.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗