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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Helical versus collinear antiferromagnetic order tuned by magnetic anisotropy in polar and chiral (Ni,Mn) 3 TeO 6

In this work, polar and chiral Ni 3 TeO 6 was found to exhibit a colossal magnetoelectric (ME) effect associated with collinear antiferromagnetic order. We have investigated the evolution of its magnetic state with the substitution of the Ni 2+ spins by isotropic Mn 2+ spins, namely (Ni, Mn) 3 TeO 6 (NMTO). The ground state of NMTO maintains an Ising nature, but a new phase with XY-type magnetic anisotropy is discovered at an intermediate temperature range. Neutron powder diffraction experiments reveal that (1) Mn ions tend to occupy a specific transition-metal site, consistent with the first-principle calculation, and (2) the intermediate phase is an incommensurate (IC) helical magnetic state propagating along the $\textit{c}$ axis with $\vec q_{\text{IC}}$ = (0, 0, 1.5 ± δ). We also found that the balance between these two magnetic states can be readily manipulated with magnetic fields, which results in significant ME effects. This selective site occupancy of NMTO allows for a unique competition between collinear and helical magnetic structures with minimal chemical disorder. Thus, NMTO serves as a model system to study site-specific chemical control of noncollinear magnetism and ME coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Transient Coupled Chemical-Thermal-Fluid Field Simulation for Sealed Aluminum-clad Spent Nuclear Fuel Storage Canister

As the first step toward developing three-dimensional (3D) multi-physics computational fluid dynamics (CFD) model for unsealed and vented canister storage system, a 3D CFD model coupled with bulk gas radiolysis reactions was developed first for sealed DOE standard canisters filled with inert gas and trace amount of air and water. The workflow for constructing canister-scale 3D CFD models and coupling with gas phase radiolysis reactions were established, which can be readily extended to unsealed, vented canister storage system. This interim milestone report documents the theory of the model, workflow to establish radiolysis reaction network, and initial simulations of the evolutions of thermal fields and hydrogen gas concentrations within sealed DOE standard canisters over long period of time. In addition, a mesh refinement test was done to show that increasing the models mesh refinement had negligible impact upon the temperature profiles.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

A New Complex Borohydride LiAl(BH4)2Cl2

A new mixed alkali metal–aluminum borohydride LiAl(BH4)2Cl2 has been prepared via mechanochemical synthesis from the 2LiBH4–AlCl3 mixture. Structural characterization, performed using a combination of X-ray powder diffraction and solid-state NMR methods, indicates that the LiAl(BH4)2Cl2 phase adopts a unique 3D framework and crystallizes in an orthorhombic structure with the space group C2221, a = 11.6709(6) Å, b = 8.4718(4) Å, c = 7.5114(3) Å. The material shows excellent dehydrogenation characteristics, where hydrogen evolution starts at Tons = 70 °C, releasing approximately 2 wt.% of nearly pure (99.8 vol.%) hydrogen and a very small amount (~0.2 vol.%) of diborane. When compared to halide-free mixed alkali metal–aluminum borohydrides, the presence of Al‒Cl bonding in the LiAl(BH4)2Cl2 structure likely prevents the formation of Al(BH4)3 upon decomposition, thus suppressing the formation of diborane.

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

From atomistic models to machine learning: Predictive design of nanocarbons under extreme conditions

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled synthesis pathways. While detonation shockwaves provide the high-pressure, high-temperature environment required for nanodiamond formation, subsequent cooling and decompression dictate whether the diamond phase is preserved or transformed into other nanocarbon structures. Here, in this study, we employ GPU-accelerated reactive molecular dynamics (ReaxFF) simulations to investigate the graphitization and structural remodeling of detonation nanodiamond under nonlinear quench and pressure-release trajectories. We further investigate how the initial nanodiamond morphology; cuboctahedral, octahedral, or hexagonal prism influences the resulting transformation products. Evolution of nanostructure, allotrope (via simulated x-ray diffraction), carbon hybridization, and ring statistics are tracked during a two-stage quench from 5000 K to 60 GPa. Rapid cooling combined with slow decompression optimizes cubic diamond retention, whereas slow cooling with rapid pressure release promotes surface-to-core graphitization, producing concentric sp 2 -hybridized layers and hollowed inner shells. Octahedral nanodiamonds evolve into carbon nano-onions, initially forming bucky diamonds that progressively transform into fully sp 2 -hybridized structures, while hexagonal prisms preferentially form parallel-stacked graphite layers resembling carbon dots. Transient hexagonal diamond (lonsdaleite) emerges as an interfacial phase, suggesting potential reversibility in the shock-induced graphite-to-diamond transformation pathway transformation route. To extend predictive capabilities, we trained machine learning (ML) regressors on over 10 5 node-hours of molecular dynamics (MD) trajectories. A multilayer perceptron (MLP) model reliably predicts the number of graphitized layers from temperature–pressure trajectories with a coefficient of determination (R 2 ) exceeding 0.90. This high predictive fidelity enables efficient, high-throughput mapping of the synthesis parameter space for optimized graphitization outcomes. Collectively, morphological control combined with optimized quench–decompression conditions promote the selective synthesis of nanocarbon allotropes. This work establishes a data-driven framework for the rational, a priori design of carbon nanomaterials for applications in energy storage, sensing, and biomedicine.

Detonation nanodiamond remodeling↗
DOE OSTI2022

Foundational Science to Accelerate Nuclear Energy Innovation [Brochure]

The foundational science gaps inhibiting the advancement of nuclear energy technologies are identified and tackled in five priority research opportunities. These opportunities pave the way to accelerate the development and ultimately the adoption of new nuclear energy systems. They include the fundamental aspects of ion-electron interactions; novel properties of next-generation coolants and solvents; interfacial dynamics, not only in solids, but in other aspects of nuclear reactors; novel operando and in-situ monitoring and sensing; and artificial intelligence to accelerate condensed phases discovery. Building on the foundation established by previous BES workshops, these opportunities encompass recent advances in fundamental knowledge and focus on the experimental and computational methods needed to resolve major technical challenges for nuclear energy technologies. Through developing fundamental scientific insight as well as pushing the frontiers of modeling complex systems and probing the operation of materials and chemical systems in extreme environments, research motivated by the priorities identified here will further develop the promise, potential, and utilization of nuclear energy for a clean energy future. The PROs are as follows: (1) Master complex electronic structures to tailor thermochemical reactivity, transport, and microstructural evolution; (2) Interrogate and direct the physics and chemistry underpinning next-generation coolants and solvents; (3) Elucidate and control the underlying physics and chemistry of interfaces in complex nuclear environments; (4) Bridge multi-fidelity multi-resolution experiments, computational modeling, and data science to control dynamic behavior; and (5) Harness artificial intelligence to design inherently resilient condensed phases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Multiscale and Machine Learning Modeling for Process-informed Microstructure Prediction in Additively Manufactured Materials using MALAMUTE

The Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy aims to develop and qualify additively manufactured materials for nuclear applications. One key challenge to this is the microstructural variability observed in the additively manufactured products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-throughput experimental and modeling techniques to accelerate qualification. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the additive manufacturing process to the final product and its performance. However, adopting a trial-and-error approach to experimentally evaluate the vast range of process parameters required to capture microstructural variability is cost-prohibitive. Modeling and simulation provide a comparatively inexpensive way to understand and correlate the microstructural evolution to the processing conditions. The modeling and simulation work-packages within the AMMT program aims to use physics-based and machine learning models to develop a digital twin for additive manufacturing that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation. The melting and subsequent solidification that occurs during the additive process is a complex phenomenon that requires multiscale multiphysics analysis. This work package focuses on understanding the role of process variabilities on the unique microstructural characteristics of additively manufactured materials. Microstructural features at the subgrain level, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. Idaho National Laboratory’s Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) software, provides an ideal platform for developing the multiphysics multiscale model to explore the intricacies of the microstructural evolution during the AM processes within a single framework. Furthermore, given that such full-fidelity simulations can be computationally intensive, reduced order models are necessary to explore the PSPP space for additively manufactured materials in an efficient, reliable, and cost-effective way. This work focuses on capturing the microstructural variabilities at the subgrain level that are often missing in the part-scale models. In fiscal year 2025, we significantly advanced upon our work in the last fiscal year, in terms of the predictive capabilities of the physics-based and ML models, by adding the capabilities to capture subgrain-level micro-segregation during solidification using phase-field model and to predict the time-dependent dynamics of the AM process through the MOGPAR model. The alloy solidification model in MOOSE incorporates the thermodynamic properties and free energy relevant to 316 stainless steel. The model demonstrates the Cr and Ni segregation that occurs during solidification, including that the rate of solidification. The microstructural evolution model is connected to the process conditions via the surrogate model developed in this work. This enables predictions of the final microstructure in conjunctions with the manufacturing process. This work supports AMMT's rapid qualification goals by laying the foundation for an efficient and cost-effective model establishing the PSPP correlation for AM. The generated microstructures and predicted micro-segregation can be used by other work packages under AMMT to evaluate the properties and environmental response of the material at the mesoscale. Thus, this work helps to identify the key microstructural features at the subgrain level that are significant in property and performance predictions of additively manufactured components. This work will also provide inputs to the large-scale process variability models to reevaluate and validate assumptions and simplifications made in the part-scale models. Furthermore, through active learning this work can help identify the data need from both modeling and experimental sides for development of a robust digital twin for additive manufacturing and accelerate the AMMT's qualification efforts.

36 - MATERIALS SCIENCE↗
DOE OSTI2024

Visualizing the SEI formation between lithium metal and solid-state electrolyte

The solid electrolyte interphase (SEI) is regarded as the most important factor affecting the durability of lithium-metal anode in all-solid-state batteries (ASSBs). Despite its significance, the nucleation and growth mechanism of SEI is not yet well understood. Here, we elucidate the thermodynamics and kinetics governing SEI formation at the Li|β-Li 3 PS 4 interface at the atomic scale via thermodynamic phase equilibrium analysis and machine-learning-potential-assisted molecular dynamics (MD) simulations. An accurate moment tensor potential using the machine-learning method is developed for a reactive model of Li|β-Li 3 PS 4 . This potential enabled us to perform large-scale MD simulations with the model size expanded to the experimental dimensions (~40 nm) while maintaining the same level of accuracy as density functional theory calculations. The results reveal a four-stage evolution process at the Li|β-Li 3 PS 4 interface, namely (i) fast ion diffusion, (ii) nucleation, (iii) Li 2 S growth, and (iv) stabilization. Notably, we demonstrate that the SEI can be categorized into crystalline and amorphous regions. The simulated SEI thickness, structure, and composition closely match experimental findings, validating the accuracy of the MD simulations. We further disclose the significant impact of ion diffusion kinetic limitations on the phase formation and crystallization of interfacial products. Furthermore, we shed light on the detailed potential energy (PE) distribution of lithium along the direction perpendicular to the interface. Finally, this information is crucial for better understanding interfacial ion mobility.

25 ENERGY STORAGE↗
DOE OSTI2020

Strain-driven surface reconstruction and cation segregation in layered Li(Ni 1– x – y Mn x Co y )O 2 (NMC) cathode materials

The composition, structure and phase transformations occurring on cathode surfaces greatly affect the performance of Li-ion batteries. Li-Ion diffusion and surface–electrolyte interaction are two major phenomena that impact the capacity and cell impedance. The effects of surface reconstruction (SR) of cathode materials on the performance of Li-ion batteries are of current interest. However, the origin and evolution of the SR are still not well understood. In this work, density functional theory (DFT) calculations are used to investigate the processes taking place during surface segregation and reconstruction. Facet dependent segregation was found in Li(Ni 1– x – y Mn x Co y )O 2 (NMC) cathodes. Specifically, Co tends to segregate to the (104) surface of the primary particles within the transition metal layer, while Ni ions tend to segregate to the (012) surface in the Li layer, forming a SR. Experimental evidence shows the SR to be epitaxial with the bulk of the as-synthesized material, and the new SR phase is pinned to the NMC unit cell leading to a strained SR. Here, we demonstrate that strain can stabilize a spinel structure of the SR layers. Understanding the effects of surface strain opens a new avenue for the design of cathode materials with enhanced surface properties.

25 ENERGY STORAGE↗
DOE OSTI2025

Continuum laser absorption spectroscopy of C 2 (a 3 Π u ) in a sublimating cloud of carbon black

A direct optical absorption diagnostic has been developed for rotationally resolved measurements of diatomic carbon (a 3 Π u →d 3 Π g (0,0) and (1,1)) at a repetition rate of 525 kHz and resolution of 7.3 pm over the range of 511.1–514.1 nm. The diagnostic utilizes a high-power pulsed continuum laser light source dispersed in a spectrograph and imaged by a high-speed camera. Measurements have been performed that capture the temporal evolution of C 2 number density and temperature of a cloud of carbon black sublimating in shock heated gas at high temperature and pressure (T = 5500 K, P = 3.7 atm). A simultaneous light absorption measurement of the condensed phase enables comparisons of the gaseous C 2 number density to the condensed phase mass. The continuum laser absorption diagnostic is applied to C 2 in this work but shows promise in being a simple “drop-in” system for absorption spectroscopy in the visible range at rapid repetition rates and high dispersion, filling an important gap for laser diagnostic systems.

Willhardt, Colton Dean [Univ. of Illinois at Urban↗
DOE OSTI2025

R&D Adoption and Progress in Full Simulation of the CMS experiment

In this work we report on evolution of usage of Geant4 within CMSSW and adaptation of the newest Geant4 11.2.1, which is expected to be used for CMS simulation production in 2025. Physics validation results and results on CPU performance are reported. For the Phase-2 simulation several R&D are carried out. A significant update for CMS geometry description is performed. Different aspects of geometry description and physics simulation for the new detectors will be discussed. Progress on R&D efforts for the Phase-2 simulation will be presented, which includes reports on experience of application of G4HepEm external library.

Srimanobhas, Norraphat [Chulalongkorn U.]↗
DOE OSTI2020

A New Superconducting Undulator Cryostat for the APS Upgrade

The Advanced Photon Source (APS) is in the midst of a major facility upgrade including both a new electron storage ring (SR) and many new insertion devices ( IDs) providing x-ray photon beams to a new suite of experimental end stations. Included among the new IDs are four 4.8-meter superconducting undulator (SCU) cryostats, each containing two 1.8-meter planar undulator magnets operating at 4.2 K in either a phase shifted or canted configuration. We describe a new, compact cryocooler-based cryostat design which supports the magnets and associated subsystems and also fits the space constraints of the SR ID straight sections. The design is an evolution of earlier single-magnet 2-meter cryostats, retaining some subsystem commonality while incorporating lessons learned and several features unique to the challenge of supporting two independently operable undulator magnets in a single device.

Anliker, E.↗
DOE OSTI2021

Exploiting timing capabilities of the CHEOPS mission with warm-Jupiter planets

ABSTRACT We present 17 transit light curves of seven known warm-Jupiters observed with the CHaracterising ExOPlanet Satellite (CHEOPS). The light curves have been collected as part of the CHEOPS Guaranteed Time Observation (GTO) program that searches for transit-timing variation (TTV) of warm-Jupiters induced by a possible external perturber to shed light on the evolution path of such planetary systems. We describe the CHEOPS observation process, from the planning to the data analysis. In this work, we focused on the timing performance of CHEOPS, the impact of the sampling of the transit phases, and the improvement we can obtain by combining multiple transits together. We reached the highest precision on the transit time of about 13–16 s for the brightest target (WASP-38, G = 9.2) in our sample. From the combined analysis of multiple transits of fainter targets with G ≥ 11, we obtained a timing precision of ∼2 min. Additional observations with CHEOPS, covering a longer temporal baseline, will further improve the precision on the transit times and will allow us to detect possible TTV signals induced by an external perturber.

Borsato, L. (ORCID:0000000300669268)↗
DOE OSTI2023

Ageing and quenching through the Ageing Diagram – II. Physical characterization of galaxies

The connection between quenching mechanisms, which rapidly turn star-forming systems into quiescent, and the properties of the galaxy population remains difficult to discern. In this work we investigate the physical properties of MaNGA and SAMI galaxies at different stages of their star formation history. Specifically, we compare galaxies with signatures of recent quenching (Quenched) – Hα in absorption and low D n (4000) – with the rest of the low star-forming and active population (Retired and Ageing, respectively). The analysis is performed in terms of characteristics such as the total stellar mass, half-light radius, velocity-to-dispersion ratio, metallicity, and environment. We find that the Ageing population comprises a heterogeneous mixture of galaxies, preferentially late-type systems, with diverse physical properties. Retired galaxies, formerly Ageing or Quenched systems, are dominated by early-type high-mass galaxies found both at low and dense environments. Most importantly, we find that recently quenched galaxies are consistent with a population of compact low-mass satellite systems, with higher metallicities than their Ageing analogues. We argue that this is compatible with being quenched after undergoing a star-burst phase induced by environmental processes (e.g. ram pressure). However, we also detect a non-negligible fraction of field central galaxies likely quenched by internal processes. This study highlights that, in order to constrain the mechanisms driving galaxy evolution, it is crucial to distinguish between old (Retired) and recently quenched galaxies, thus requiring at least two estimates of the specific star formation rate over different time-scales.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Field angle dependent vortex lattice phase diagram in MgB 2

Using small-angle neutron scattering we have studied the superconducting vortex lattice (VL) phase diagram in MgB 2 as the applied magnetic field is rotated away from the c axis and towards the basal plane. The field rotation gradually suppresses the intermediate VL phase which exists between end states aligned with two high-symmetry directions in the hexagonal basal plane for H || c. Above a critical angle, the intermediate state disappears, and the previously continuous transition becomes discontinuous. Finally, the evolution towards the discontinuous transition can be parametrized by a vanishing twelvefold anisotropy term in the VL free energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

The Boreal Summer Madden–Julian Oscillation and Moist Convective Morphology over the Maritime Continent

Abstract While the boreal summer Madden–Julian oscillation (MJO) is commonly defined as a planetary-scale disturbance, the convective elements that constitute its cloud dipole exhibit pronounced variability in their morphology. We therefore investigate the relationship between the intraseasonal cloud anomaly of the MJO and the convective elements that populate its interior by simulating a boreal summer MJO event over the Maritime Continent using a cloud-resolving model. A progressive relationship between convective cell morphology and the MJO within the convectively enhanced region of the MJO was identified and characterized as follows: anomalously long-lasting cells in the initial phases, followed by an increased number of cells in the intermediate phases, progressing into more expansive cells in the terminal phases. A progressive relationship does not seem to exist within the convectively suppressed region of the MJO within the simulated domain, however. Within the convectively enhanced region of the MJO, the progressive relationship is partially explained by the evolution of bulk atmospheric characteristics, such as instability and wind shear. Positive midlevel moisture anomalies coincide with anomalously long-lasting convective cells, which is hypothesized to further cascade into an increase in convective cell volume, although variability in the number of convective cells seems to be related to an unidentified variable. This intraseasonal relationship between convective cell morphology and the boreal summer MJO within the Maritime Continent may have broader implications for the large-scale structure and evolution of the MJO, related to both convective moistening and cloud-radiative feedbacks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Block Copolymer-Templated Synthesis of Fe–Ni–Co-Modified Nanoporous Alumina Films

Despite intense interest in the catalytic potential of transition metal oxide heterostructures, originating from their large surface area and tunable chemistry, the fabrication of well-defined multicomponent oxide coatings with controlled architectures remains challenging. Here, we demonstrate a simple and effective swelling-assisted sequential infiltration synthesis (SIS) strategy to fabricate hierarchically porous multicomponent metal-oxide electrocatalysts with tunable bimetallic composition. A combination of solution-based infiltration (SBI) of transition metals, iron (Fe), nickel (Ni), and cobalt (Co), into a block copolymer (PS73-b-P4VP28) template, followed by vapor-phase infiltration of alumina using sequential infiltration synthesis (SIS), was employed to synthesize porous, robust, conformal and transparent multicomponent metal-oxide coatings like Fe/AlO x , Fe+Ni/AlO x , and Fe+Co/AlO x . Electrochemical assessments for the oxygen evolution reaction (OER) in a 0.1 M KOH electrolyte demonstrated that the Fe+Ni/AlO x composite exhibited markedly superior catalytic activity, achieving an impressive onset potential of 1.41 V and a peak current density of 3.29 mA/cm 2 . This superior activity reflects the well-known synergistic effect of alloying transition metals with a trace of Fe, which facilitates OER kinetics. Overall, our approach offers a versatile and scalable path towards the design of stable and efficient catalysts with tunable nanostructures, opening new possibilities for a wide range of electrochemical energy applications.

conformal films↗
DOE OSTI2022

A thermodynamically consistent finite strain phase field approach to ductile fracture considering multi-axial stress states

Phase field models for ductile fracture have gained significant attention in the last two decades due to their ability in implicitly tracking the nucleation and propagation of cracks. However, most crack phase field formulations for elastoplastic solids focus only on the effects of plastic deformation, and do not consider the different multi-axial stress states that may arise in practical designs. In this work, a thermodynamically consistent phase field approach coupled with finite strain plasticity, considering multi-axial stress states is presented. In order to account for the coupling between plasticity and stress states, the Stress-Weighted Ductile Fracture Model (SWDFM) is utilized. The SWDFM represents a criterion for predicting ductile crack initiation under both monotonic and cyclic loadings based on histories of an internal plastic variable, stress triaxiality, and the Lode angle parameter. The excellent performance of the SWDFM for predicting ductile crack initiation motivates for its incorporation into a phase field approach for predicting both crack initiation and propagation through degradation of the fracture toughness. Moreover, based on the second law of thermodynamics, exact requirements are imposed on the rate at which the fracture toughness can evolve. Here, a novel function for degrading the plastic yield surface during the evolution of damage is introduced. This function, in line with experimental observations, leads to an accumulation of plastic deformation in damaged regions of a solid, and avoids numerical instabilities arising from concentrations of large plastic deformations in severely damaged regions. For validating the proposed model, results of computational simulations are compared to data from selected tests considering different multi-axial stress states. Comparisons of the numerical results with data from laboratory experiments demonstrate the capabilities of the proposed framework.

42 ENGINEERING↗
DOE OSTI2023

The Chemical and Electronic Properties of Stability-Enhanced, Mixed Ir-TiO x Oxygen Evolution Reaction Catalysts

Iridium has emerged as the leading catalyst material for the anodic oxygen evolution reaction (OER) in acidic media. Often, iridium is mixed with more stable materials such as titanium. For these materials, the electronic structure of titanium plays a crucial role since with varying degrees of oxidation titanium transforms to semiconducting or even insulating phases. Yet, the electronic properties of mixed Ir-TiO x catalysts have never been systematically studied. In this study, we correlate the catalytic performance of mixed Ir-TiO x -based OER catalysts with the electronic structure of the surface layers. For this, a thin film material library with a 20-70 at. % Ir (Ir/[Ir + Ti]) compositional gradient was prepared. We used inductively coupled plasma mass spectrometry to test the OER activity and stability of the set of mixed Ir-TiO x catalyst candidate materials. Complementary, Ti L 2,3 - and O K-edge X-ray absorption spectroscopy and depth-dependent X-ray photoelectron spectroscopy measurements were performed to correlate the catalytic performance with the composition and electronic property profiles of these mixed Ir-TiO x OER anode catalysts. The spectroscopic analysis reveals that titanium is present as an intermixed matrix of semiconductive but stable TiO 2 , conductive but less stable titanium-suboxides (TiO x ), and highly conductive but highly unstable metallic Ti(0). The extent of the titanium oxidation strongly depends on the titanium content, with a lower degree of oxidation observed for lower titanium (and thus higher iridium) contents. For an iridium loading of 70 at. %, the respective mixed Ir-TiO x catalyst showed a similar OER activity to that of the pure metallic iridium (1.74 vs 1.59 VRHE, respectively) but with a 71% lower iridium dissolution rate relative to the pure metallic iridium. This demonstrates the stabilization effect of titanium addition while maintaining high OER activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗