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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Biaxial Strains Mediated Oxygen Reduction Electrocatalysis on Fenton Reaction Resistant L1 0 ‐PtZn Fuel Cell Cathode

Abstract PtM alloy catalysts (e.g., PtFe, PtCo), especially in an intermetallic L1 0 structure, have attracted considerable interest due to their respectable activity and stability for the oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). However, metal‐catalyzed formation of ·OH from H 2 O 2 (i.e., Fenton reaction) by Fe‐ or Co‐containing catalysts causes severe degradation of PEM/catalyst layers, hindering the prospects of commercial applications. Zinc is known as an antioxidant in Fenton reaction, but is rarely alloyed with Pt owing to its relatively negative redox potential. Here, sub‐4 nm intermetallic L1 0 ‐PtZn nanoparticles (NPs) are synthesized as high‐performance PEMFC cathode catalysts. In PEMFC tests, the L1 0 ‐PtZn cathode achieves outstanding activity (0.52 A mg Pt −1 at 0.9 V iR ‐free , and peak power density of 2.00 W cm −2 ) and stability (only 16.6% loss in mass activity after 30 000 voltage cycles), exceeding the U.S. DOE 2020 targets and most of the reported ORR catalysts. Density function theory calculations reveal that biaxial strains developed upon the disorder‐order (A1L1 0 ) transition of PtZn NPs would modulate the surface PtPt distances and optimize PtO binding for ORR activity enhancement, while the increased vacancy formation energy of Zn atoms in an ordered structure accounts for the improved stability.

Liang, Jiashun↗
DOE OSTI2023

Enhanced Oxygen Reduction Performance on {101} CoMn 2 O 4 Spinel Facets

Here, we present a facile colloidal synthesis method for producing {101}-facet-tailored CoMn 2 O 4 spinel nano-octahedra with uniform size (9 nm). These nano-octahedra exhibit superior electrocatalytic activity for the oxygen reduction reaction (ORR) in alkaline media compared to their spherical counterparts and previously reported spinel electrocatalysts. At 0.85 V, they achieve a high mass activity (MA) of 60.0 A/g, surpassing the spherical counterparts (38.6 A/g). Furthermore, the CoMn 2 O 4 nano-octahedra demonstrate excellent stability, maintaining an MA of 47.2 A/g after 10,000 durability cycles. This work highlights a promising approach for synthesizing advanced spinel nano-oxides with controlled crystal facets, offering potential as non-precious metal ORR electrocatalysts. The exposed active catalyst surfaces and well-defined structures contribute to their enhanced ORR performance.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Joint Japan/U.S. Conference on Adaptive Structures, 2nd, Nagoya, Japan, Nov. 12-14, 1991, Collection of Papers

The present conference discusses the development status of adaptive structures in Europe and in Japan, the 'Cosmo-Lab' structures/robotics cooperation concept, active-adhesion concepts for in-orbit structural assembly, adaptively controlled truss structures, object-oriented modeling in structural analysis, the control effectiveness and energy efficiency of an active mass damper, a space truss with experimental tendon control, and piezoelectric actuator-based space trusses. Also discussed is the control of resonant frequencies in adaptive structures through prestressing, active control of vortex-excited vibrations of flexible cylindrical structures, shape adjustment of a flexible space antenna reflector, the SDIO Adaptive Structures Program, optimal trajectories of iterative manipulation for space robots, a docking device as an adaptive structure, shape-memory polymers and their hybrid composites, and fuzzy control methods for structural dynamics.

Matsuzaki, Yuji↗
DOE OSTI2025

Creating Favorable Pt/Co Interfaces via a Two‐Step Approach for Constructing Highly Durable PtCo Intermetallic Fuel Cell Catalysts

Structurally ordered PtCo intermetallics are one of the most promising oxygen-reduction catalysts in proton exchange membrane fuel cells (PEMFCs) due to their intrinsically improved catalytic activity and stability relative to PtCo solid-solution alloys. However, increasing the heating temperature to achieve a desirable high degree of ordering results in severe particle agglomeration and low mass activity and stability. Herein, a two-step synthesis approach is developed to create an L1 2 -Pt 3 Co intermetallic structure with an increased ordering degree and well-dispersed ultrafine particles. The first step of the synthesis yields ultrafine Pt nanoparticles that are well-dispersed on the ZIF-8-derived carbon support. The second adsorption step enables us to fine-tune the Pt and Co interfaces, assisted by optimal amino acids, to establish a favorable Co-rich environment around fine Pt nanoparticles, facilitating Co diffusion into the Pt crystalline under mild thermal conditions (<800 °C). In conclusion, this two-step ordered L1 2 -Pt 3 Co catalyst is systematically evaluated using membrane electrode assemblies under heavy-duty vehicle (HDV) conditions and demonstrated exceptional performance and durability, retaining 1.35 A cm -2 only a 7% loss in current density at 0.7 V after an extensive accelerated stress test of 150,000 voltage cycles.

30 DIRECT ENERGY CONVERSION↗
NASA NTRSDate not supplied

Momentum Management Strategies for Solar Cruiser and Beyond (ISSS 2023)

Solar Cruiser is a small (ESPA-class) satellite Technology Demonstration Mission (TDM) to mature solar sail propulsion technology using a solar sail larger than 1600 square meters, demonstrating performance both as a propulsion system and a stable pointing platform for science observations in an artificial halo orbit sunward of the Sun-Earth Lagrange Point 1 (sub-L1). To ensure attitude control throughout the mission, momentum accumulated on the reaction wheels (RWs) used for attitude control must be managed such that the sailcraft does not lose control due to RW momentum saturation. Momentum builds up on the wheels from environmental disturbance torques caused by solar radiation pressure combined with a center of mass (CM)/center of pressure (CP) offset, deformed sail shape, and an off-sun pointing angle, plus other factors. Solar Cruiser mitigates this momentum build up by utilizing an Active Mass Translator (AMT) that maintains pitch and yaw momentum by trimming the CM/CP offsets, and thrusters to maintain roll momentum. A survey was conducted by the Solar Cruiser team to assess the feasibility and tradeoffs of novel momentum management concepts such as Reflectivity Control Devices (RCD’s), different thruster configurations, and control vanes and other articulated control surfaces. In addition, techniques to reduce disturbance torque buildup, such as reducing boom tip deflections and clock angle control, were assessed. Similar sailcraft momentum management strategies can be used for future missions such as space weather monitoring and Earth magnetotail science missions

Solar Sail↗
NASA NTRS2003

A Comparison of Active and Passive Methods for Control of Hypersonic Boundary Layers on Airbreathing Configurations

Active and passive methods for control of hypersonic boundary layers have been experimentally examined in NASA Langley Research Center wind tunnels on a Hyper-X model. Several configurations for forcing transition using passive discrete roughness elements and active mass addition, or blowing, methods were compared in two hypersonic facilities, the 20-Inch Mach 6 Air and the 31-Inch Mach 10 Air tunnels. Heat transfer distributions, obtained via phosphor thermography, shock system details, and surface streamline patterns were measured on a 0.333-scale model of the Hyper-X forebody. The comparisons between the active and passive methods for boundary layer control were conducted at test conditions that nearly match the nominal Mach 7 flight trajectory of an angle-of-attack of 2-deg and length Reynolds number of 5.6 million. For the passive roughness examination, the primary parametric variation was a range of trip heights within the calculated boundary layer thickness for several trip concepts. The prior passive roughness study resulted in a swept ramp configuration being selected for the Mach 7 flight vehicle that was scaled to be roughly 0.6 of the calculated boundary layer thickness. For the active jet blowing study, the blowing manifold pressure was systematically varied for each configuration, while monitoring the mass flow, to determine the jet penetration height with schlieren and transition movement with the phosphor system for comparison to the passive results. All the blowing concepts tested were adequate for providing transition onset near the trip location with manifold stagnation pressures on the order of 40 times the model static pressure or higher.

Berry, Scott A.↗
DOE OSTI2022

PtRu Catalysts on Nitrogen-Doped Carbon Nanotubes with Conformal Hydrogenated TiO 2 Shells for Methanol Oxidation

The methanol oxidation reaction (MOR) is the limiting factor in direct methanol fuel cells (DMFC). There is an urgent need to improve the catalytic activity and stability of MOR catalysts. This study reports a highly active PtRu catalyst for MOR based on a hybrid multifunctional catalyst support consisting of a conformal amorphous hydrogenated TiO 2 shell wrapped around the oxygenated N-doped carbon nanotube core, denoted as PtRu/TiO 2 / ONCNT-400. Both the TiO 2 shell and the subsequent PtRu nanoparticles are deposited by a rapid microwave-assisted synthesis processes. The hydrogenated TiO 2 shell is found to exhibit a strong interaction with the deposited PtRu catalyst nanoparticles and effectively prevent them from agglomeration during the postdeposition thermal annealing to form more active crystalline PtRu alloy catalysts. In addition, the defective hydrogenated TiO 2 shell enhances the PtRu catalyst activity by the synergistic effects of partial charge transfer from TiO 2 to PtRu and high oxophilicity, which improves the kinetics of oxidation of poisonous CO intermediate to CO 2 . The mass activity for MOR and long-cycling stability of the PtRu/TiO 2 /ONCNT-400 catalyst surpass the two benchmark commercial PtRu/C catalysts from Johnson Matthey (JM) and Tanaka KiKinzoku (TKK), respectively. Furthermore, the results demonstrate that PtRu/TiO 2 /ONCNT-400 can serve as an efficient catalyst for MOR in DMFC.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electro-activated indigos intensify ampere-level CO 2 reduction to CO on silver catalysts

The electrochemical reduction of carbon dioxide (CO 2 ) to carbon monoxide (CO) is challenged by a selectivity decline at high current densities. Here we report a class of indigo-based molecular promoters with redox-active CO 2 binding sites to enhance the high-rate conversion of CO 2 to CO on silver (Ag) catalysts. Theoretical calculations and in situ spectroscopy analyses demonstrate that the synergistic effect at the interface of indigo-derived compounds and Ag nanoparticles could activate CO 2 molecules and accelerate the formation of key intermediates (*CO 2 – and *COOH) in the CO pathway. Indigo derivatives with electron-withdrawing groups further reduce the overpotential for CO production upon optimizing the interfacial CO 2 binding affinity. By integrating the molecular design of redox-active centres with the defect engineering of Ag structures, we achieve a Faradaic efficiency for CO exceeding 90% across a current density range of 0.10 − 1.20 A cm –2 . The Ag mass activity toward CO increases to 174 A mg –1 Ag . This work showcases that employing redox-active CO 2 sorbents as surface modification agents is a highly effective strategy to intensify the reactivity of electrochemical CO 2 reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Electrode performance parameters for a radioisotope-powered AMTEC for space power applications

The alkali metal thermoelastic converter (AMTEC) is a device for the direct conversion of heat to electricity. Recently a design of an AMTEC using a radioisotope heat source was described, but the optimum condenser temperature was hotter than the temperatures used in the laboratory to develop the electrode performance model. Now laboratory experiments have confirmed the dependence of two model parameters over a broader range of condenser and electrode temperatures for two candidate electrode compositions. One parameter, the electrochemical exchange current density at the reaction interface, is independent of the condenser temperature, and depends only upon the collision rate of sodium at the reaction zone. The second parameter, a morphological parameter, which measures the mass transport resistance through the electrode, is independent of condenser and electrode temperatures for molybdenum electrodes. For rhodium-tungsten electrodes, however, this parameter increases for decreasing electrode temperature, indicating an activated mass transport mechanism such as surface diffusion.

Underwood, M. L.↗
DOE OSTI2024

Morphology‐controlled synthesis of multi‐metal‐based spinel oxide nanocatalysts and their performance for oxygen reduction

Abstract We present a one‐pot colloidal synthesis method for producing monodisperse multi‐metal (Co, Mn, and Fe) spinel nanocrystals (NCs), including nanocubes, nano‐octahedra, and concave nanocubes. This study explores the mechanism of morphology control, showcasing the pivotal roles of metal precursors and capping ligands in determining the exposed crystal planes on the NC surface. The cubic spinel NCs, terminated with exclusive {100}‐facets, demonstrate superior electrocatalytic activity for the oxygen reduction reaction (ORR) in alkaline media compared to their octahedral and concave cubic counterparts. Specifically, at 0.85 V, (CoMn)Fe 2 O 4 spinel oxide nanocubes achieve a high mass activity of 23.9 A/g and exhibit excellent stability, highlighting the promising ORR performance associated with {100}‐facets of multi‐metal spinel oxides over other low‐index and high‐index facets. Motivated by exploring the correlation between ORR performance and surface atom arrangement (active sites), surface element composition, as well as other factors, this study introduces a prospective approach for shape‐controlled synthesis of advanced spinel oxide NCs. It underscores the significance of catalyst shape control and suggests potential applications as nonprecious metal ORR electrocatalysts.

Li, Can↗
NASA NTRS2016

Development of a High Performance, Low-Profile Translation Table with Wire Feedthrough

NEAScout, a 6U cubesat, will use an 85 sq m solar sail to travel to a near-earth asteroid for observation. Over the course of the 3-year mission, a combination of reaction wheels, cold gas reaction control system, and a slow rotisserie roll about the solar sail's normal axis were expected to handle attitude control and adjust for imperfections in the deployed sail. As the design for NEAScout matured, one of the critical design parameters, the offset in the center of mass and center of pressure (CP/CM offset), proved to be sub-optimal. After significant mission and control analysis, the CP/CM offset was addressed and a new subsystem was introduced to NEAScout. This system, called the Active Mass Translator (AMT), would reside near the geometric center of NEAScout and adjust the CM by moving one portion of the flight system relative to the other. The AMT was given limited design space-about 17 mm of the vehicle's assembly height-and was required to generate +/-10 cm by +/-5 cm translation to sub-millimeter accuracy. Furthermore, the design must accommodate a large wire bundle of small gage, single strand wire and coax cables fed through the center of the mechanism. The bend radius, bend resistance, and the exposure to deep space environment complicates the AMT design and operation and necessitated a unique design to mitigate risks of wire bundle damage, binding, and cold-welding during operation. This paper will outline the design constraints for the AMT, discuss the methods and reasoning for design, and identify the lessons learned through the design downselect process and breadboarding for designing low-profile translation stages with feedthrough capabilities.

Few, Alex↗
NASA NTRS2016

Development of a High Performance, Low Profile Translation Table with Wire Feedthrough for a Deep Space CubeSat

NEAScout, a 6U cubesat and secondary payload on NASA's EM-1, will use an 85 sq m solar sail to travel to a near-earth asteroid at about 1 Astronomical Unit (about 1.5 x 10(exp 8) km) for observation and reconnaissance1. A combination of reaction wheels, reaction control system, and a slow rotisserie roll about the solar sail's normal axis were expected to handle attitude control and adjust for imperfections in the deployed sail during the 2.5-year mission. As the design for NEAScout matured, one of the critical design parameters, the offset in the center of mass and center of pressure (CP/CM offset), proved to be sub-optimal. After significant mission and control analysis, the CP/CM offset was accommodated by the addition of a new subsystem to NEAScout. This system, called the Active Mass Translator (AMT), would reside near the geometric center of NEAScout and adjust the CM by moving one portion of the flight system relative to the other. The AMT was given limited design space - 17 mm of the vehicle's assembly height-and was required to generate +/-8 cm by +/-2 cm translation to sub-millimeter accuracy. Furthermore, the design must accommodate a large wire bundle of small gage, single strand wire and coax cables fed through the center of the mechanism. The bend radius, bend resistance, and the exposure to deep space environment complicates the AMT design and operation and necessitated a unique design to mitigate risks of wire bundle damage, binding, and cold-welding during operation. This paper will outline the design constraints for the AMT, discuss the methods and reasoning for design, and identify the lessons learned through the designing, breadboarding and testing for the low-profile translation stages with wire feedthrough capability.

Few, Alex↗
NASA NTRS2016

Development of a High-Performance, Low-Profile Translation Table with Wire Feedthrough for a Deep Space CubeSat

NEAScout, a 6U cubesat and secondary payload on NASA's EM-1, will use an 85 sq m solar sail to travel to a near-earth asteroid at about 1 Astronomical Unit (about 1.5 x 10(exp 8) km) for observation and reconnaissance1. A combination of reaction wheels, reaction control system, and a slow rotisserie roll about the solar sail's normal axis were expected to handle attitude control and adjust for imperfections in the deployed sail during the 2.5-year mission. As the design for NEAScout matured, one of the critical design parameters, the offset in the center of mass and center of pressure (CP/CM offset), proved to be sub-optimal. After significant mission and control analysis, the CP/CM offset was accommodated by the addition of a new subsystem to NEAScout. This system, called the Active Mass Translator (AMT), would reside near the geometric center of NEAScout and adjust the CM by moving one portion of the flight system relative to the other. The AMT was given limited design space - 17 mm of the vehicle's assembly height-and was required to generate +/-8 cm by +/-2 cm translation to sub-millimeter accuracy. Furthermore, the design must accommodate a large wire bundle of small gage, single strand wire and coax cables fed through the center of the mechanism. The bend radius, bend resistance, and the exposure to deep space environment complicates the AMT design and operation and necessitated a unique design to mitigate risks of wire bundle damage, binding, and cold-welding during operation. This paper will outline the design constraints for the AMT, discuss the methods and reasoning for design, and identify the lessons learned through the designing, breadboarding and testing for the low-profile translation stages with wire feedthrough capability.

Few, Alex↗
DOE OSTI2022

Developing novel electrodes with ultralow catalyst loading for high-efficiency hydrogen production in proton exchange membrane electrolyzer cells

Hydrogen plays more crucial roles for decarbonizing the planets and meeting the climate challenges because of its high energy density and zero-emission. It can be produced with proton exchange membrane electrolyzer cells (PEMECs) driven by sustainable and renewable energy resources. Although PEMECs have a number of advantages, including high purity production, quick response, and the ability to operate at high pressure facilitating the gas delivering, their performance and cost greatly hinder their commercial-scale applications. To achieve high-efficiency and cost-reduced hydrogen production in PEMECs, we proposed thin engineered liquid/gas diffusion layers (LGDLs) and associated electrodes, i.e., catalyst-coated LGDLs (CCLGDLs), over conventional porous transport layers (PTLs) and catalyst-coated membranes (CCMs). The research approaches in this project are based on material synthesis, in-situ and ex-situ characterizations, component design and treatment, numerical modeling, and cost analysis. The thin and tunable LGDLs (TT-LGDLs) and CCLGDLs were successfully developed with great performance improvement as demonstrated in lab-scale, bench-scale, and system-scale electrolyzer tests. The electrode thickness was reduced from 370 µm to less than 100 µm with simplified fabrication processes. With the catalytically enhanced Ir-based catalyst coating, the as-developed CCLGDLs with a catalyst loading of 0.34 mg Ir /cm 2 achieved a cell performance of 1.77 V at 2 A cm -2 , exhibiting the catalyst mass activity enhanced by >20 times with significant catalyst saving over conventional catalyst cell design. In-situ PEMEC characterizations, including the current distribution mapping and high-speed and multiscale visualizations, were conducted for a deeper understanding of mass transport and electrochemical reactions within an electrolyzer with LGDLs and CCLGDLs. A 2D cell model was developed and validated for the enhanced performance on TT-LGDL through reducing ohmic losses due to nonuniform hydration and water transport. Further, the cost analysis results have shown a path to move beyond equivalency and surpass costs associated with the project baseline. In this project, the design and fabrication of TT-LGDLs and CCLGDLs will contribute to the performance enhancement, manufacturing simplification, and cost reduction for PEMECs and other energy conversion devices, thus shortening their pathways towards commercialization. This project also provides a good foundation for furthering the in-situ reaction interface research.

08 HYDROGEN↗
DOE OSTI2022

Oxygen vacancy-rich amorphous FeNi hydroxide nanoclusters as an efficient electrocatalyst for water oxidation

Here, a one-pot strategy is presented to directly synthesize amorphous Fe x Ni y hydroxide nanoclusters (denoted as ANC-Fe x Ni y , <2 nm) with oxygen vacancies induced by ionic liquids. The ANC-Fe x Ni y catalyst presents abundant catalytic sites and high intrinsic conductivity. As such, the optimized ANC-Fe 1 Ni 2 exhibits high activity in oxygen evolution reaction (OER) with a Tafel slope of 39 mV dec –1 and an overpotential of 266 mV at 10 mA cm –2 . Notably, the optimized ANC-Fe 1 Ni 2 shows an extraordinarily large mass activity of 3028 A g FeNi –1 at the overpotential of 300 mV, which is ~24-fold of commercial RuO 2 catalyst. The superior activity of these Fe x Ni y hydroxide nanoclusters is ascribed to (i) the amorphous and distorted structure with abundant oxygen vacancies, and (ii) enhanced active site density by downsizing the ANC-Fe x Ni y clusters. This strategy provides a novel route for enhancing OER electrocatalytic performance and highly encouraging for the future application of amorphous metal hydroxides in catalysis.

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

Reconstructing Oxygen-Deficient Zirconia with Ruthenium Catalyst on Atomic-Scale Interfaces toward Hydrogen Production

Downsizing a catalyst nanoparticle (NP) to a single atom (SA) has proven to be highly effective in increasing catalytic activity and decreasing the amount of catalyst required for various electrochemical reactions. However, insufficient stability of the single-atom site catalysts (SACs) is still a significant challenge for their practical application. Here, SACs firmly bound to stable metal oxide NPs are proposed to dramatically increase the electrochemical activity and stability of SA-based catalysts for hydrogen evolution reaction (HER). Starting from a Ru-infiltrated, Zr-based metal-organic framework (MOF), the tetragonal zirconium oxide (ZrO 2-x ) NPs-embedded carbon matrix is fabricated as support through facile pyrolysis. Simultaneously, Ru SAs as active sites are well dispersed on the surface of ZrO 2-x NPs due to the generation of oxygen vacancies in the tetragonal ZrO 2-x . Finally, the Ru-ZrO 2-x SAC exhibits a 4–5 times higher mass activity than commercial Pt and Ru catalysts and superior durability due to strong metal-support interaction (SMSI) between Ru atoms and ZrO 2-x substrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Review—Development of Highly Active and Durable Hybrid Compressive Platinum Lattice Catalysts for Polymer Electrolyte Membrane Fuel Cells: Mathematical Modeling and Experimental Work

This review provides a comprehensive overview on the development of highly active and durable platinum catalysts with ultra-low Pt loadings for polymer electrolyte membrane fuel cells (PEMFCs) through a combined mathematical modeling and experimental work. First, simulation techniques were applied to evaluate the validity of the Tafel approximation for the calculation of the mass activity (MA) and specific activity (SA). A one-dimensional agglomeration model was developed and solved to understand the effects of exchange current density, porosity, agglomerate size, Nafion ® film thickness, and Pt loading on the MA and SA. High porosity (> 60%) and agglomerations at high Pt loadings cause the loss of the Tafel approximation and consequently the decrease in MA and SA. A new structure parameter was introduced to estimate the real porous structure using the fractal theory. The volumetric catalyst density was corrected by the fractal dimension (measured by Hg porosimetry), which gave a good agreement with the experimental values. The loading-dependent Tafel equation was then derived, which contains both the utilization and the non-linear scaling factor. Second, activated carbon composite support (ACCS) with optimized surface area, porosity, pore size, and pore size distribution was developed. The hydrophilic/hydrophobic ratio, structural properties (amorphous/crystalline ratio), and the number of active sites were optimized through metal-catalyzed pyrolysis. Stability of ACCS and Pt/ACCS were evaluated using an accelerated stress test (AST). The results indicated that Pt/ACCS showed no significant loss of MA and power density after 5,000 cycles at 1.0–1.5 V, while the commercial Pt/C catalysts showed drastic losses of MA and power density. Finally, monolayers of compressed Pt (core–shell-type Pt 3 Co 1 ) catalysts were structured by diffusing Co atoms (previously embedded in ACCS) into Pt. Compressive Pt lattice (Pt * ) catalysts were synthesized through an annealing procedure developed at the University of South Carolina (USC). The Pt * /ACCS catalyst showed high initial power density (rated) of 0.174 g Pt kW −1 and high stability (24 mV loss) at 0.8 A cm −2 after 30,000 cycles (0.6–1.0 V). The outstanding performance of Pt * /ACCS is due to the synergistic effect of ACCS and compressive Pt * lattice.

25 ENERGY STORAGE↗
DOE OSTI2024

Theoretical Prediction and Experimental Verification of IrO x Supported on Titanium Nitride for Acidic Oxygen Evolution Reaction

Reducing iridium (Ir) catalyst loading for acidic oxygen evolution reaction (OER) is a critical strategy for large-scale hydrogen production via proton exchange membrane (PEM) water electrolysis. However, simultaneously achieving high activity, long-term stability, and reduced material cost remains challenging. To address this challenge, we develop a frame-work by combining density functional theory (DFT) prediction using model surfaces and proof-of-concept experimental ver-ification using thin films and nanoparticles. DFT results predict that oxidized Ir monolayers over titanium nitride (IrO x /TiN) should display higher OER activity than IrO x while reducing Ir loading. Further, this prediction is verified by depositing Ir monolayers over TiN thin films via physical vapor deposition. The promising thin film results are then extended to commercially viable powder IrO x /TiN catalysts, which demonstrate a lower overpotential and higher mass activity than commercial IrO 2 , and a long-term stability of 250 hours to maintain a current density of 10 mA cm -2 . The superior OER performance of IrO x /TiN is further confirmed using proton exchange membrane water electrolyzer (PEMWE), which shows a lower cell voltage than commercial IrO 2 to achieve a current density of 1 A cm -2 . Both DFT and in situ X-ray absorption spectroscopy reveal that the high OER performance of IrO x /TiN strongly depends on the IrO x - TiN interaction via direct Ir-Ti bonding. This study highlights the importance of close interaction between theoretical prediction based on mechanistic understanding and experimental verification based on thin film model catalysts to facilitate the development of more practical powder IrO x /TiN catalysts with high activity and stability for acidic OER.

08 HYDROGEN↗