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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Visualizing diverse lithium growth and stripping behaviors in anode-free solid-state batteries with operando X-ray tomography

Anode-free solid-state batteries (SSBs), which eliminate the need for lithium metal use during cell assembly, have the potential to enable high energy densities and simplified manufacturing. However, the factors that control lithium growth/stripping at the anode current collector are not well understood. Here, we use operando X-ray microcomputed tomography to comprehensively image and quantify lithium deposition and stripping under various conditions in three different Li|Li 6 PS 5 Cl|current collector cells, revealing diverse behavior that depends on interface morphology, cell resistance, and solid-state electrolyte (SSE) microstructure. A cell with high resistance exhibits extensive lithium filament growth across the entire current collector interface, with filaments that grow around pre-existing pores in the SSE rather than lithium filling these pores. Lithium filament formation is partially reversible, with the cracks shrinking as lithium metal is stripped. Uniform lithium deposition is achievable at low current densities in low-resistance cells, whereas higher current densities in these cells cause an increase in interfacial roughness, which is correlated with subsequent filamentary growth at the edges of the cell. These results provide insight into filamentary vs. planar lithium growth and highlight that the evolution of lithium is sensitively dependent on SSE microstructure and electrochemical processes.

25 ENERGY STORAGE↗
DOE OSTI2026

Findings from Large Bench-Scale Testing of Denitration Electrolyzers for the EDCGe Project

This report highlights the key findings and outcomes relevant to the processability of waste supernatant at Hanford using a denitration electrolyzer. The Electrosynthesis Company issued a Phase 1 report to the Savannah River National Laboratory (SRNL), summarizing the evaluation of large bench-scale denitration electrolyzers to support the electrochemical denitration and caustic generation (EDCGe) project. The Electrosynthesis Company’s report (attached as Appendix A) provides insights into the initial steps required to implement an electrolyzer system at Hanford. Phase 1 experiments focused on validating the denitration electrolyzer’s performance, operating parameters, and reaction products. The robustness of the electrochemical denitration process was demonstrated by two electrolyzer flow cell systems (a 100 cm 2 ElectroCell MP and a 150 cm 2 NESI NS01 cell), both of which achieved significant nitrate and nitrite removal (>50%) with a current efficiency of ~95% for both systems. Higher current densities (500 mA cm –2 ) improved nitrate and nitrite removal rates compared to lower current densities (333 mA cm –2 ), while maintaining a current efficiency of ~94%. The NS01 cell achieved a nitrate species removal rate of ~0.41 mol h –1 at 5 kA m –2 (equiv. to 500 mA cm –2 ). The primary reaction product was ammonia (NH 3 ), constituting 78.3–91.6% of the products (excluding OH – formation). NH 3 was predominantly retained in the catholyte liquid phase rather than being off-gassed. Additionally, the NS01 cell reported an NH 3 generation rate of ~0.36 mol h –1 at 5 kA m –2 . Other gas formation included ~7% N 2 , ~7% H 2 , and trace amounts of N 2 O. The estimated power requirement (extrapolated from the 0.015 m 2 cell data) for a full-scale denitration electrolyzer is approximated to be ~1.6 MW (DC-only) to treat 50% of nitrate and nitrite in a waste stream and generates ~2.1 kmol h –1 of NH 3 with an initial concentration of 4 M NO 3 – /NO 2 – at 300 gal h –1 . Simulated waste containing aluminate, carbonate, oxalate, and halogens exhibited no adverse effects on denitration performance. A preliminary experiment comparing alkaline anolyte (5 M NaOH) with a nickel based anode to acidic media (2 M H 2 SO 4 ) with a DSA-O 2 anode showed a lower operating voltage and generated less H 2 than the acid media. Maintaining a stable 5 M OH – concentration in the anolyte through periodic additions of caustic did not significantly impact denitration performance. This operational mode will be required for long-term experiments. All the experiments demonstrated that electrochemical denitration is a promising approach for treating nitrate and nitrite in simulated waste streams, achieving significant conversion and robustness across varying experimental conditions and electrochemical cell configurations. Lastly, the ability to generate a nearly pure NH 3 stream may prove advantageous for processing at other locations within the Hanford site.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Lanthanum-Promoted Electrocatalyst for the Oxygen Evolution Reaction: Unique Catalyst or Oxide Deconstruction?

A conventional performance metric for electrocatalysts that promote the oxygen evolution reaction (OER) is the current density at a given overpotential. However, the assumption that increased current density at lower overpotentials indicates superior catalyst design is precarious for OER catalysts in the working environment, as the crystalline lattice is prone to deconstruction and amorphization, thus greatly increasing the concentration of catalytic active sites. We show this to be the case for La 3+ incorporation into Co 3 O 4 . Powder X-ray diffraction (PXRD), Raman spectroscopy and extended X-ray absorption fine structure (EXAFS) reveal smaller domain sizes with decreased long-range order and increased amorphization for La-modified Co 3 O 4 . This lattice deconstruction is exacerbated under the conditions of OER as indicated by operando spectroscopies. The overpotential for OER decreases with increasing La 3+ concentration, with maximum activity achieved at 17% La incorporation. HRTEM images and electron diffraction patterns clearly show the formation of an amorphous overlayer during OER catalysis that is accelerated with La 3+ addition. O 1s XPS spectra after OER show the loss of lattice-oxide and an increase in peak intensities associated with hydroxylated or defective O-atom environments, consistent with Co(O) x (OH) y species in an amorphous overlayer. Furthermore, our results suggest that improved catalytic activity of oxides incorporated with La 3+ ions (and likely other metal ions) is due to an increase in the number of terminal octahedral Co(O) x (OH) y edge sites upon Co 3 O 4 lattice deconstruction, rather than enhanced intrinsic catalysis.

Catalysts↗
DOE OSTI2025

LiCl–Based Aqueous Electrolytes for Efficient Iron Electrodeposition

This study investigates room temperature, aqueous electrolytes for efficient iron electrodeposition. Specifically, a novel lithium chloride-based electrolyte was identified to suppress hydrogen evolution while promoting fast kinetics of iron electrodeposition, achieving high coulombic efficiency (>90%) at high current densities (>400 mA cm −2 ). Electrochemical analysis of the partial current densities of iron deposition and hydrogen co-evolution revealed that water reduction is kinetically suppressed in this electrolyte, resulting in an increase in the measured coulombic efficiency. Furthermore, a detailed investigation of the iron speciation and their complexation was performed, which revealed that, in concentrated LiCl-containing electrolytes, the ferrous (Fe 2+ ) species coordinate with chloride rather than water, enhancing deposition kinetics. The combined effect of enhanced electrodeposition kinetics and suppressed water activity provide elevated coulombic efficiency. Overall, this paper develops an understanding of anion and cation effects on the mechanism of electrodeposition and hydrogen co-evolution in concentrated electrolytes in search of improved aqueous media (e.g., concentrated LiCl) for efficient metal electro-synthesis.

Lvovich, William [Case Western Reserve University,↗
DOE OSTI2025

Discharge Rate‐Driven Li 2 O 2 Growth Exhibits Unconventional Morphology Trends in Solid‐State Li‐O 2 Batteries

Solid-state lithium oxygen batteries (LOBs) are known for their enhanced safety, higher electrochemical stability, and improved energy density compared to liquid-state LOBs. However, the investigation of solid-state LOBs is limited with little understanding of their discharge and charge processes. In this work, a polymer-based solid-state LOB is used to investigate the effect of discharge rate on lithium peroxide (Li 2 O 2 ) formation, the oxygen evolution reaction (OER), and cycle performance. Notably, we observe a counterintuitive trend: Li 2 O 2 particle size increases with increasing discharge current density, in contrast to liquid systems. This behavior arises from inherent space charge layers that restrict Li⁺ transport under high current, and spatially heterogeneous active sites at the solid electrolyte–cathode interface, directly evidenced by small angle X-ray scattering (SAXS), which govern nucleation accessibility and promote site-selective Li 2 O 2 growth. Furthermore, higher current densities improve ORR and OER efficiency but accelerate anode degradation, while lower currents promote side reactions. These opposing effects result in a trade-off that defines an optimal discharge rate (0.1 mA cm -2 ) for maximizing cycle life. This study provides a new mechanistic perspective on discharge-driven processes in solid-state LOBs and offers practical guidelines for performance optimization in future high-energy battery systems.

Discharge current density↗
DOE OSTI2024

(CrMnCoNiZn) 3 O 4 @PPy core-shell nanocomposite with excellent electrochemical performance as lithium-ion battery anode

High entropy oxides (HEOs) have an excellent potential for use as electrode materials in lithium-ion batteries (LIBs) due to their high theoretical specific capacity. In this work, spinel-structured (CrMnCoNiZn) 3 O 4 HEO nanoparticles with five elements in equal molar ratio is first generated by solution combustion method. (CrMnCoNiZn) 3 O 4 @polypyrrole (PPy) nanocomposites are prepared by in-situ polymerization method. As an anode for lithium-ion batteries, the electrochemical performance of the (CrMnCoNiZn) 3 O 4 @PPy composite outperforms that of (CrMnCoNiZn) 3 O 4 nanoparticles. The capacity is 802 mAh/g after 100 cycles at a current density of 100 mA/g, 416 mAh/g after 1000 cycles at a high current density of 1 A/g, and 360 mAh/g rate capacity at 2 A/g. The excellent electrochemical performance of the composites is mainly due to the fact that the conductive and flexible PPy is encapsulated on the high-entropy oxides, which can alleviate the volume change triggered by extraction-insertion of lithium ions process, as well as enhance the electrical conductivity and reduce the occurrence of some side reactions. Finally, this method of compositing materials can also be used in other HEOs and conductive polymers, providing a new idea to enhance the electrochemical properties of HEOs.

25 ENERGY STORAGE↗
DOE OSTI2025

A Diffuse-Interface Model for Predicting the Evolution of Metallic Negative Electrodes and Interfacial Voids in Solid-State Batteries with Homogeneous and Polycrystalline Solid Electrolyte Separators

Here, this paper presents a novel diffuse-interface electrochemical model that simultaneously simulates the evolution of the metallic negative electrode and interfacial voids during the stripping and plating processes in solid-state batteries. The utility and validity of this model are demonstrated for the first time on a cell with a sodium (Na) negative electrode and a Na-β″-alumina ceramic solid electrolyte (SE) separator. Three examples are simulated. First, stripping and plating with a perfect electrode/electrolyte interface; second, stripping and plating with a single interfacial void at the electrode/electrolyte interface; third, stripping with multiple interfacial voids. Both homogeneous and polycrystalline SEs with low and high-conductivity grain boundaries (GBs) are considered for all three examples. Heterogeneous GB conductivity marginally impacts the thickness of the Na electrode in cases with a perfect electrode/electrolyte interface. Moreover, it results in local changes to void growth due to the interactions between the void edge and the GBs. The void growth rate is a linear function of the flux of Na atoms at the void edge, which in turn depends on the applied current density. We also show that the void coalescence rate increases with applied current density and can be marginally influenced by GB conductivity.

batteries↗
DOE OSTI2025

High aspect ratio organic light-emitting diodes

Reliability is particularly challenging for organic light-emitting diodes (OLEDs) used in solid-state lighting applications, because OLED lifetime is inversely proportional to luminance, and most lighting applications demand high luminance. Here we introduce a strategy to overcome this tradeoff by constructing OLEDs on a substrate with sub-mm, high aspect ratio surface texture. By creating more active OLED area per unit lighting panel area, the device current density required to generate a given panel luminance decreases. We validate this approach for fluorescent and phosphorescent OLEDs, demonstrating good thickness uniformity on corrugated substrates with area enhancement factors up to 1.4x using a standard thermal evaporator. Relative to planar controls at the same panel current density, the high aspect ratio devices achieve a 2.7-fold increase in operating lifetime and up to a 40% increase in external light extraction efficiency, indicating that this approach offers a powerful pathway to improve the efficiency and lifetime of OLED lighting.

OLED↗
DOE OSTI2026

A high power, low temperature molten sodium battery

Low temperature molten sodium batteries promise low-cost, grid-scale energy storage using earth-abundant materials. To be economically viable, they must demonstrate high current (power) at relevant discharge times. Here a low temperature (135 °C) molten sodium battery with a NaI–AlCl 3 molten salt catholyte and NaSICON separator is explored, minimizing cell ohmic resistances and avoiding precipitation reactions in the molten salt catholyte. Operating currents were increased by as much as 100× compared to the energy-dense baseline design (197 Wh kg −1 and 248 mAh cm −2 ). Cells were cycled 100 times at 50 mA cm −2 (150 mW cm −2 ), averaging 99.8% coulombic efficiency and 79.7% energy efficiency for 30% of the theoretical capacity. Charging currents up to 250 mA cm −2 (1070 mW cm −2 ) are demonstrated for 10% of the theoretical capacity. Toward extending the accessible capacity in these high current systems, the volume ratio of catholyte molten salt to a graphite felt current collector was varied, altering (1) the local current density in the graphite felt and (2) the discharge time at a fixed current density. Optimizing the catholyte : felt ratio dramatically increased capacity utilization to 60% (102 mAh cm −2 ) at 50 mA cm −2 (150 mW cm −2 ) charge and 10 mA cm −2 discharge. This catholyte : felt ratio of 1.4 significantly decreased the cell impedance, minimizing electrode blocking effects seen previously in NaI–AlCl 3 catholytes. Together, these high areal loadings and impressive power outputs demonstrate how low temperature molten sodium batteries can compete with commercialized sodium systems operating at more than twice the temperature.

NaSICON↗
DOE OSTI2025

Bridging interfacial properties and cell performance: A multiscale model for proton-exchange-membrane fuel cells

Here, to elucidate the impact of local interfaces on mass-transport resistance and overall cell performance of low-loaded proton-exchange-membrane fuel cells (PEMFCs), we present a multiscale modeling framework incorporating a novel modified agglomerate model. The model considers three distinct Pt-electrolyte interfaces: Pt on the carbon surface covered by either ionomer or water film and Pt inside carbon nanopores. Detailed mass-transport voltage-loss breakdowns reveal that coupled agglomerate-interface-scale mass transport dominates the mass-transport loss. The ionomer poisons the exterior-Pt surface through suppressing O 2 adsorption and intrinsic ORR activity, leading to low current-density performance. Conversely, interior-Pt interface enhances the kinetic performance but limits high current-density performance due to its low interfacial permeability. The exterior-Pt/water interface demonstrates superior kinetic performance and mass transport, though its practical implementation requires ensuring proton transport. By coupling the multiscale CL properties with ink parameters, the model identifies an optimal I to C ratio of approximately 0.5, a moderate value where the ionomer content is sufficient to guarantee proton transport without fully covering the Pt surface and forming large agglomeration, thus allowing the utilization of the Pt-water interface and avoiding high mass-transport loss. Overall, the model helps unravel limiting phenomena across different operating regimes and provides routes for optimizing performance.

Cell diagnostic↗
DOE OSTI2025

Enhancing surface activity and durability in triple conducting electrode for protonic ceramic electrochemical cells

With the material system operating at lower temperatures, protonic ceramic electrochemical cells (PCECs) can offer high energy efficiency and reliable performance for both power generation and hydrogen production, making them a promising technology for reversible energy cycling. However, PCEC faces technical challenges, particularly regarding electrode activity and durability under high current density operations. To address these challenges, we introduce a nano-architecture oxygen electrode characterized by high porosity and triple conductivity, designed to enhance catalytic activity and interfacial stability through a self-assembly approach, while maintaining scalability. Electrochemical cells incorporating this advanced electrode demonstrate robust performance, achieving a peak power density of 1.50 W cm −2 at 600 °C in fuel cell mode and a current density of 5.04 A cm −2 at 1.60 V in electrolysis mode, with enhanced stability on transient operations and thermal cycles. The underlying mechanisms are closely related to the improved surface activity and mass transfer due to the dual features of the electrode structure. Additionally, the enhanced interfacial bonding between the oxygen electrode and electrolyte contributes to increased durability and thermomechanical integrity. This study underscores the critical importance of optimizing electrode microstructure to achieve a balance between surface activity and durability.

Protonic Ceramic Electrochemical Cells↗
DOE OSTI2025

Digital light processing of porous LLZTO scaffolds for Li-garnet solid-state batteries

Li 7 La 3 Zr 2 O 12 (LLZO)-based solid-state electrolytes (SEs) are promising materials for next-generation solid-state batteries. In this work, digital light processing (DLP), an emerging additive manufacturing technology, is employed to produce porous Ta-doped LLZO (LLZTO) scaffolds. The self-standing scaffolds are 100 μm thick and have 40% porosity. The scaffolds demonstrate symmetric cell cycling stability exceeding 1,500 h at 0.1 mA/cm2 current density, with a capacity of 0.1 mAh/cm 2 (1 h for each half cycle). At higher current densities, reversible soft shorts frequently happen, while immediate hard shorts are prevented due to Li dendrite growth being hindered by the tortuous pore network. In addition to the cycling stability, the phase stability of LLZTO is investigated during the post-printing thermal process for printing resin removal. We discovered that the LLZTO partially decomposes into Li 2 Zr 2 O 7 and other impurity phases from 400°C to 800°C, but the pure LLZTO phase is restored upon the completion of resin removal beyond 800°C.

Li-metal anode↗
DOE OSTI2025

Investigating the Effects of Copper Impurity Deposition on the Structure and Electrochemical Behavior of Hydrogen Evolution Electrocatalyst Materials

Electrolysis of impure water (such as seawater) has recently garnered research interest as it may enable hydrogen production at reduced costs. However, the tendency of impurity ions and other species to degrade electrocatalysts and membranes within an electrolyzer is a serious challenge. Here, we investigate the effects of copper impurities of varying concentrations on the hydrogen evolution reaction (HER) using platinum electrocatalysts. A decrease of current density is observed with an increasing copper concentration. By comparing the effect of ionic impurities on current density at different concentrations, we gain insight into how impurities can interfere with the HER at different potentials. Surface characterization of the electrodes reveals differences in the morphology and extent of copper deposition on HER-active platinum vs inactive gold electrodes. This enables an improved understanding of how copper nucleates and grows on the two types of electrodes under different electrochemical conditions while also confirming deposition in low-concentration cases, as present in seawater. The results indicate that copper electrodeposition competes with the HER, and the nature of copper electrodeposition varies depending on the electrocatalytic activity of the electrode. This study provides insight toward catalyst design that can withstand the effects of impurity-induced degradation over extended use.

08 HYDROGEN↗
DOE OSTI2025

Application of mesh refinement to relativistic magnetic reconnection

During relativistic magnetic reconnection, antiparallel magnetic fields undergo a rapid change in topology, releasing a large amount of energy in the form of non-thermal particle acceleration. This work explores the application of mesh refinement to 2D reconnection simulations to efficiently model the inherent disparity in length-scales. We have systematically investigated the effects of mesh refinement and determined necessary modifications to the algorithm required to mitigate non-physical artifacts at the coarse–fine interface. We have used the ultrahigh-order pseudo-spectral analytical time-domain Maxwell solver to analyze how its use can mitigate the numerical dispersion that occurs with the finite-difference time-domain (or “Yee”) method. Absorbing layers are introduced at the coarse–fine interface to eliminate spurious effects that occur with mesh refinement. We also study how damping the electromagnetic fields and current density in the absorbing layer can help prevent the non-physical accumulation of charge and current density at the coarse–fine interface. Using a mesh refinement ratio of 8 for two-dimensional magnetic reconnection simulations, we obtained good agreement with the high-resolution baseline simulation, using only 36% of the macroparticles and 71% of the node-hours needed for the baseline. The methods presented here are especially applicable to 3D systems where higher memory savings are expected than in 2D, enabling comprehensive, computationally efficient 3D reconnection studies in the future.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Texture Evolution of Plated Lithium in Anode-Free Solid-State Batteries

Here, this study investigates lithium plating texture in anode-free solid-state batteries using synchrotron-based X-ray diffraction. Conventional methods are limited by lithium’s low electron density and softness, which hinders direct interrogation in anode-free solid-state batteries. Results reveal that lithium plating texture is influenced by temperature and current density. Under mild conditions, lithium exhibited a ⟨110⟩ fiber texture. However, higher current densities and elevated temperatures led to a more randomized orientation, suggesting a dependence on plating conditions. The results highlight how the operating and processing conditions for lithium metal can influence the texture of lithium metal and reversible operation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Noncollinear ground states of solids with a source-free exchange correlation functional

In this paper, we expand upon the source-free (SF) exchange correlation (XC) functional developed by Sangeeta Sharma and coworkers to plane-wave density functional theory (DFT) based on the projector augmented wave (PAW) method. This constraint is implemented by the current authors within the VASP source code, using a fast Poisson solver that capitalizes on the parallel three-dimensional fast Fourier transforms (FFTs) implemented in VASP. Using this modified XC functional, we explore the improved convergence behavior that results from applying this constraint to the GGA-PBE+U+J functional. In the process, we compare the noncollinear magnetic ground state computed by each functional and their SF counterpart for a select number of magnetic materials in order to provide a metric for comparing with experimentally determined magnetic orderings. We observe significantly improved agreement with experimentally measured magnetic ground-state structures after applying the source-free constraint. Furthermore, we explore the importance of considering probability current densities in spin-polarized systems, even under no applied field. We analyze the XC torque as well, in order to provide theoretical and computational analyses of the net XC magnetic torque induced by the source-free constraint. Along these lines, we highlight the importance of properly considering the real-space integral of the source-free local magnetic XC field. Our analyses on probability currents, net torque, and constant terms draw additional links to the rich body of previous research on spin-current density functional theory (SCDFT), and pave the way for future extensions and corrections to the SF corrected XC functional.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Compatibility of divertor detachment and ELM suppression in DIII-D high- β p plasmas with ITER-similar shape

Abstract Integration of transient and steady-state divertor heat fluxes control with a high-performance core is necessary for future fusion reactors. In recent DIII-D high- β p experiments, divertor detachment and simultaneous edge localized mode (ELM) suppression are demonstrated while the plasma confinement quality is maintained high in ITER-similar shape. By optimizing the neon injection in high- β p scenario with ITER-similar shape, deep detachment and ELM suppression are achieved with a high-performance core ( β N ∼ 2.8, β p ∼ 2.3) at q 95 ∼ 7.5. Partial divertor detachment and suppression of large ELMs are achieved at q 95 ∼ 6. The stability analyses suggest that with low neon injection, the density pedestal becomes higher and steeper and the T i profile also increases, therefore the increased edge pressure and higher current density destabilize the Peeling-Ballooning mode (PBM), which would lead to a large ELM collapse. With strong neon gas puffing, the significantly reduced pedestal pressure and current density, due to the degraded T e pedestal, lead to the stabilization of PBM and ELMs are suppressed. For both cases, the coupling between the large radius internal transport barrier (ITB) and edge pedestal is the key reason for maintaining high global performance. The formation of large radius ITB compensates for pedestal degradation. Such results could provide an attractive scenario to well control the transient and steady-state heat flux onto the divertor plates while maintaining good plasma performance, which is an important step toward the steady-state operation of future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Synergizing superwetting and architected electrodes for high-rate water splitting

Water splitting is one of the most promising technologies for generating green hydrogen. To meet industrial demand, it is essential to boost the operation current density to industrial levels, typically in the hundreds of mA cm -2 . However, operating at these high current densities presents significant challenges, with bubble formation being one of the most critical issues. Efficient bubble management is crucial as it directly impacts the performance and stability of the water splitting process. Superwetting electrodes, which can enhance aerophobicity, are particularly favorable for facilitating bubble detachment and transport. By reducing bubble contact time and minimizing the size of detached bubbles, these electrodes help prevent blockage and maintain high catalytic efficiency. Here, in this review, we aim to provide an overview of recent advancements in tackling bubble-related issues through the design and implementation of superwetting electrodes, including surface modification techniques and structural optimizations. We will also share our insights into the principles and mechanisms behind the design of superwetting electrodes, highlighting the key factors that influence their performance. Our review aims to guide future research directions and provides a solid foundation for developing more efficient and durable superwetting electrodes for high-rate water splitting.

36 MATERIALS SCIENCE↗