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DOE OSTI2025

Experimental Evaluation of Interfacial Bonding Strength Between 304 Stainless Steel Substrate and Electrodeposited Nickel Coating Using Mesoscale Mechanical Testing Methods

Electrodeposition is a commonly used method for depositing a metal layer on a metallic substrate, to provide a decorative finish or for functional purposes including wear and corrosion resistance. The interfacial bonding strength is a critical factor in determining the quality of electrodeposition, as it ensures the adhesion of the deposited layer to the substrate. Despite its importance, there has not previously been a suitable mechanical testing method to quantitatively characterize the bonding strength between the electrodeposited layers and the substrate, due to the high strength of the materials and to restrictions imposed by the geometry (due to the small thickness of the plating layer) to manufacture tensile bars. In this study, we introduce a novel mesoscale mechanical testing method to overcome these limitations. This technique was applied to assess the bonding strength between a 304 stainless steel (SS) substrate and electrodeposited nickel with three different plating formulae (nickel sulfamate, Watts bath, and hard nickel). The thickness of the pure nickel coatings achieved for each of the three electrolyte solutions was approximately 1 mm on each side of the substrate. Mesoscale tensile bars of 1 mm length were manufactured by a femtosecond laser, with the material interface at the center of the gauge section, and then tensile-tested with digital image correlation. Further, the results proved that the electrodeposition technique is able to produce a very high bonding strength that is close to the yield strength of both the substrate material and the electrodeposited nickel layer. Additionally, in the case of the Watts bath formula, the interfacial bonding strength between the SS 304 and electrodeposited nickel can exceed that of the nickel layer. This method is expected to be useful for quantifying the interfacial bonding strength in numerous applications.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Absence of hydrogen insertion into highly crystalline superconducting infinite layer nickelates

Here, the discovery of superconductivity in the infinite layer nickelates introduced a materials system analogous to the cuprates for the study of unconventional superconductivity. The synthesis of infinite layer nickelates, (RNiO 2 , R = lanthanide) often uses calcium hydride (CaH 2 ) to facilitate the deintercalation of apical site oxygen atoms from a precursor perovskite (RNiO 3 ) phase via topotactic reduction. However, it remains uncertain whether the use of CaH 2 results in the insertion of hydrogen into the infinite layer structure, and if it does, what the implications are for superconductivity. To quantify the hydrogen composition of highly crystalline infinite layer nickelates, we synthesized Nd 1-x⁢ Sr x ⁢NiO 2 thin films on LSAT substrates and conducted time-of-flight secondary ion mass spectroscopy measurements to generate hydrogen depth profiles. We compare the hydrogen density of nickelates prepared with and without a SrTiO 3 capping layer. Additionally, we measure the hydrogen content in nickelate samples at various doping levels spanning the superconducting phase space, including the underdoped, optimally doped, and overdoped regime. We report no significant increase in hydrogen density between the perovskite and infinite layer phases in any of the measured samples. Furthermore, we put an upperbound on the hydrogen concentration of our nickelate samples to Nd 1-x Sr x ⁢NiO 2 ⁢H 0.05 . Our results imply that hydrogen is not responsible for the emergence of superconductivity in the infinite layer nickelates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Electronic Band Structure of a Superconducting Nickelate Probed by the Seebeck Coefficient in the Disordered Limit

Superconducting nickelates are a new family of strongly correlated electron materials with a phase diagram closely resembling that of superconducting cuprates. While analogy with the cuprates is natural, very little is known about the metallic state of the nickelates, making these comparisons difficult. We probe the electronic dispersion of thin-film superconducting five-layer ( n = 5 ) and metallic three-layer ( n = 3 ) nickelates by measuring the Seebeck coefficient S . We find a temperature-independent and negative S / T for both n = 5 and n = 3 nickelates. These results are in stark contrast to the strongly temperature-dependent S / T measured at similar electron filling in the cuprate La 1.36 Nd 0.4 Sr 0.24 CuO 4 . The electronic structure calculated from density-functional theory can reproduce the temperature dependence, sign, and amplitude of S / T in the nickelates using Boltzmann transport theory. This demonstrates that the electronic structure obtained from first-principles calculations provides a reliable description of the fermiology of superconducting nickelates and suggests that, despite indications of strong electronic correlations, there are well-defined quasiparticles in the metallic state. Finally, we explain the differences in the Seebeck coefficient between nickelates and cuprates as originating in strong dissimilarities in impurity concentrations. Our study demonstrates that the high elastic scattering limit of the Seebeck coefficient reflects only the underlying band structure of a metal, analogous to the high magnetic field limit of the Hall coefficient. This opens a new avenue for Seebeck measurements to probe the electronic band structures of relatively disordered quantum materials. Published by the American Physical Society 2024

Grissonnanche, G. (ORCID:0000000251153125)↗

DOE OSTI2025

Growth of Hexagonal Boron Nitride from Molten Nickel Solutions: A Reactive Molecular Dynamics Study

Metal flux methods are excellent for synthesizing high-quality hexagonal boron nitride (hBN) crystals, but the atomic mechanisms of hBN nucleation and growth in these systems are poorly understood and difficult to probe experimentally. Here, we harness classical reactive molecular dynamics (ReaxFF) to unravel the mechanisms of hBN synthesis from liquid nickel solvent over time scales up to 30 ns. These simulations mimic experimental conditions by including relatively large liquid nickel slabs containing dissolved boron and a molecular nitrogen gas phase. Overall, the reaction takes place almost exclusively on the surface of the liquid nickel, owing to the low solubility of nitrogen in bulk nickel and the intermediate species’ preference for the metal–gas interface. The formation of hBN invariably begins by reaction of dinitrogen with nickel-solvated boron atoms at the surface, forming intermediate N–N–B species, which typically evolve into B–N–B units through a short-lived intermediate where a single nitrogen atom is coordinated by one nitrogen and two boron atoms. The resulting B–N–B units, in turn, coalesce with growing hBN nuclei and carry nitrogen between hBN nanocrystals in an Ostwald ripening process. The amount of hBN produced on the tens of nanosecond time scale depends critically on the boron concentration, while having a much weaker dependence on the N 2 pressure for the regime considered (N 2 pressures of 2.5–10 MPa, Ni–B solutions with 6–12% boron by atom fraction). The highest rate of hBN formation occurs at the lowest temperature considered (1750 K, just above the melting point of nickel), while no hBN sheets are formed at 2000 K or above. An analysis of the transition pathways for nitrogen atoms shows that the final step, incorporation of small B–N motifs into larger hBN sheets, is the rate-limiting step in the regimes considered. While raising the temperature from 1750 to 2000 K has little effect on the formation of intermediates (N–N–B, B–N–B, etc.), the lack of large hBN sheets at temperatures >1900 K is explained by decreased probability of the final step and increased probability of breakup of hBN into B–N motifs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Soft X-Ray Spectroscopy of Low-Valence Nickelates

Low-valence nickelates—including infinite-layer (IL) and trilayer (TL) compounds—are longstanding candidates for mimicking the high-temperature superconductivity of cuprates. A recent breakthrough in the field came with the discovery of superconductivity in hole-doped IL nickelates. Yet, the degree of similarity between low-valence nickelates and cuprates is the subject of a profound debate for which soft x-ray spectroscopy experiments at the Ni L - and O K -edge provided critical input. In this review, we will discuss the essential elements of the electronic structure of low-valance nickelates revealed by x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS). Furthermore, we will review magnetic excitations observed in the RIXS spectra of IL and TL nickelates, which exhibit characteristics that are partly reminiscent of those of cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Superconductivity in a quintuple-layer square-planar nickelate

Since the discovery of high-temperature superconductivity in the copper oxide materials, there have been sustained efforts to both understand the origins of this phase and discover new cuprate-like superconducting materials. One prime materials platform has been the rare-earth nickelates and indeed superconductivity was recently discovered in the doped compound Nd 0.8 Sr 0.2 NiO 2 . Undoped NdNiO 2 belongs to a series of layered square-planar nickelates with chemical formula Nd n+1 Ni n O 2n+2 and is known as the 'infinite-layer' (n=∞) nickelate. Furthermore, we report the synthesis of the quintuple-layer (n=5) member of this series, Nd 6 Ni 5 O 12 , in which optimal cuprate-like electron filling (d 8.8 ) is achieved without chemical doping. We observe a superconducting transition beginning at ~13 K. Electronic structure calculations, in tandem with magnetoresistive and spectroscopic measurements, suggest that Nd 6 Ni 5 O 12 interpolates between cuprate-like and infinite-layer nickelate-like behavior. In engineering a distinct superconducting nickelate, we identify the square-planar nickelates as a new family of superconductors which can be tuned via both doping and dimensionality.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Direct Measurement of the Nickel Spectrum in Cosmic Rays in the Energy Range from 8.8 GeV/$\mathcal{n}$ to 240 GeV/$\mathcal{n}$ with CALET on the International Space Station

The relative abundance of cosmic ray nickel nuclei with respect to iron is by far larger than for all other transiron elements; therefore it provides a favorable opportunity for a low background measurement of its spectrum. Since nickel, as well as iron, is one of the most stable nuclei, the nickel energy spectrum and its relative abundance with respect to iron provide important information to estimate the abundances at the cosmic ray source and to model the Galactic propagation of heavy nuclei. However, only a few direct measurements of cosmic-ray nickel at energy larger than ~ 3 GeV/n are available at present in the literature, and they are affected by strong limitations in both energy reach and statistics. In this Letter, we present a measurement of the differential energy spectrum of nickel in the energy range from 8.8 to 240 GeV/n , carried out with unprecedented precision by the Calorimetric Electron Telescope (CALET) in operation on the International Space Station since 2015. The CALET instrument can identify individual nuclear species via a measurement of their electric charge with a dynamic range extending far beyond iron (up to atomic number Z = 40 ). The particle’s energy is measured by a homogeneous calorimeter (1.2 proton interaction lengths, 27 radiation lengths) preceded by a thin imaging section (3 radiation lengths) providing tracking and energy sampling. This Letter follows our previous measurement of the iron spectrum [O. Adriani et al. (CALET Collaboration), Phys. Rev. Lett. 126, 241101 (2021).], and it extends our investigation on the energy dependence of the spectral index of heavy elements. It reports the analysis of nickel data collected from November 2015 to May 2021 and a detailed assessment of the systematic uncertainties. In the region from 20 to 240 GeV/n our present data are compatible within the errors with a single power law with spectral index -2.51 ± 0.07 .

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Impacts of Lanthanum Impurities on Nickel-Rich Cathode Materials

The widespread use of lithium-ion batteries (LIBs) has led to environmental concerns and exacerbated the scarcity of essential minerals, underscoring the urgent need for effective recycling strategies. Among various recycling methods, the hydrometallurgical process is distinguished by its energy efficiency and minimal environmental impact. Nickel-metal hydride (Ni-MH) batteries are a significant source of nickel sulfate (NiSO 4 ) for hydrometallurgical recycling due to their substantial nickel content. A significant challenge arises from the effective separation of lanthanum (La), which results in at least 20 ppm of La being present in the recycled NiSO 4 . This study explores a critical aspect of the recycling process: the impact of La 3+ impurities, introduced through recycled NiSO 4 , on the performance of the synthesized nickel-rich cathode materials. We conducted a thorough investigation into how La 3+ influences morphology and structural integrity during both the synthesis of precursors and the production of cathode materials. Our findings indicate that La 3+ impurities do not adversely affect the morphology or structural integrity of the cathode precursors relative to virgin materials. However, higher concentrations of La 3+ reduce the discharge capacity with enhanced cycle stability by minimizing cation mixing between lithium (Li + ) and nickel (Ni 2+ ) ions within the cathode. Furthermore, this stability is crucial for extending battery life. Therefore, controlling the concentration of La 3+ impurities is essential for optimizing the electrochemical performance of recycled cathode materials.

Corrosion↗

DOE OSTI2023

Additive manufacturing of nickel-based superalloys: A state-of-the-art review on process-structure-defect-property relationship

Fusion-based additive manufacturing (AM) has significantly grown to fabricate Nickel-based superalloys with design freedom across multiple length scales. Several phenomena such as feedstock/energy source/melt pool interactions, solidification and phase transformations occur during fusion-based AM processes of Nickel-based superalloys, which determine the ultimate microstructure and mechanical performance of the built parts. In this review, here we elaborate a comprehensive discussion on AM Nickel-based superalloys and influential factors including feedstock characteristics (powder morphology, chemistry, contamination, flowability, recycling) and AM processing (parameters, and powder spreading/wall/balling/spattering effects) on their microstructure (micro-segregation, phases formations and grain structures), defect generation (sub-surface/internal defects, microcracks, surface roughness, and residual stress). Furthermore, the mechanical properties of AM Nickel-based superalloys such as tensile, creep and fatigue at room/elevated temperatures are analyzed in accordance with the initial, and post processing effects. Additionally, the commonly utilized modeling approaches in literature to predict the microstructure and mechanical behavior of these alloys are highlighted. Finally, the current challenges and mitigation approaches for future research are identified considering the gaps in the AM Nickel-based superalloys.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Global Electrification of Vehicles and Intertwined Material Supply Chains of Cobalt, Copper and Nickel

Electric vehicles (EVs) will be an important part of a low-carbon economy. Future EV adoption depends on overcoming multiple barriers, including charging infrastructure, sufficient electricity generation, and the availability of battery raw materials at acceptable costs, including cobalt, copper and nickel – which typically are co-produced. Various EV projections have been made, along with associated requirements for battery raw materials (demand). There have been separate assessments of the availability of raw materials (supply). However, integrated assessments of supply and demand and their interaction over time are lacking to support decision-making. Using a dynamic market model that reflects the co-produced nature of cobalt, copper and nickel production as well as recycling, we estimate global output of these three metals under different EV growth scenarios from 2020 to 2040. In this work, results suggest that starting in 2025, replacement demand for battery raw materials becomes important. Thus, estimates for future material demand that consider only demands from new EVs are incomplete and misleading. EV deployment and associated increased demand for raw materials will have a greater impact on prices for cobalt than nickel and, in turn, for nickel than copper. High EV deployment scenarios will be difficult to achieve without larger supplies of copper, nickel and cobalt than forthcoming under the conditions modeled here, which anticipates a six-year time lag between a demand increase and the expansion of metal-production capacity. Shortening battery lifetimes and improving collection and recycling rates increase secondary supply, but the extent to which these factors support additional EV deployment is mixed.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Multigroup Examination of Nickel-Reflected HEU System

Critical configurations of HEU-MET-FAST-003 (HMF-003) from the International Criticality Safety Benchmark Evaluation Project Handbook were modeled for addition into the Verified, Archived Library of Inputs and Data maintained at Oak Ridge National Laboratory. HMF-003 contains models of a highly enriched uranium sphere with a spherical metal reflector of natural uranium, tungsten carbide, or nickel. For these simple models, good agreement is expected between the k eff calculated with continuous-energy (CE) and multigroup (MG) transport. However, using the CSAS5 sequence of the SCALE 6.2.4 package, the 8 in. thick nickel reflector model resulted in a difference of around 1.2 % Δ k . Results presented a clear indication of poor performance for the SCALE 252-group based on ENDF/B-VII.1 cross section library for this model. The bias was investigated over a range of nickel thickness and then compared with other MG libraries available in SCALE 6.2.4. As the nickel thickness increases, the MG k eff deviates from the CE result, confirming a performance issue with the MG calculation. Additionally, the reactions were compared between the two libraries to help determine the cause of k eff bias. Finally, additional MG libraries within SCALE 6.3 and based on ENDF/B-VII.1 and ENDF/B-VIII were reviewed. The 302-group and 1597-group result in significant improvements compared with the 252-group library. Nickel cross sections were modified from ENDF/B-VII.1 to ENDF/B-VIII. For the ENDF/B-VIII library, the deviation between the CE libraries and MG libraries is less pronounced than for ENDF/VII.1, except for the 1597-group. This examination clearly indicates the importance of validating calculations with applicable benchmark experiments and caution when using MG libraries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Correlated Insulating Behavior in Infinite-Layer Nickelates

Unlike their cuprate counterparts, the undoped nickelates are weak insulators without long-range antiferromagnetic order. Identifying the origin of this insulating behavior, found on both sides of the superconducting dome, is potentially a crucial step in the development of a coherent understanding of nickelate superconductivity. In this work, we study the normal-state resistivity of infinite-layer nickelates using high magnetic fields to suppress the superconductivity and examine the impact of disorder and doping on its overall temperature ( T ) dependence. In superconducting samples, the resistivity of Nd- and La-based nickelates continues to exhibit weakly insulating behavior with a magnitude and functional form similar to that found in underdoped electron-doped cuprates. We find a systematic evolution of the insulating behavior as a function of nominal hole doping across different rare-earth families, suggesting a pivotal role for strong electron interactions, and uncover a correlation between the suppression of the resistivity upturn and the robustness of the superconductivity. By contrast, we find very little correlation between the level of disorder and the magnitude and onset temperature of the resistivity upturn. Combining these experimental observations with previous Hall effect measurements on these two nickelate families, we consider various possible origins for this correlated insulator behavior and its evolution across their respective phase diagrams.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Evaluation of Hydrogen Gettering Rates Correlated to Surface Composition and Texture of Nickel-Plated Zircaloy Getters of Different Heat Treatment Procedures

Coatings of metal specimens are known to have an impact on hydrogen gettering (hydrogen absorption). The coating can have one or more functions, such as enhancing gettering, preventing gettering and/or preventing oxidation of the metal substrate. It is known that contaminants and surface texture can impact hydrogen gettering/absorption performance, but has not previously been thoroughly explored. This study evaluated the role of different post-plating heat treatments of nickel-plated zircaloy-4 getters (NPGs) and the role of the heat treatments on gettering rates, surface composition and texture. Nickel plating is applied to prevent oxidation of the Zircaloy-4 surface and also enhances gettering. The nickel plating must be heat treated before desirable gettering can occur. Our NPG getters with historically known satisfying performance were pre-heat treated in air followed by activation heat treatment in a vacuum at a higher temperature. In this study, we were interested in finding out if both heat treatment steps were necessary to obtain a desirable gettering performance, or if one step could be omitted. XPS analysis showed that if the nickel surface is not heat treated before bonding the nickel to the zirconium in the activation step, there will be carbon contaminants on the surface, which significantly reduces gettering. We studied the texture of Zircaloy-4 using SEM/EBSD to compare NPGs with both heat treatment steps with NPGs that had no post-plating heat treatment to learn if the degree of cold work could be impacted by the heat treatment steps. We did not observe any differences in texture between them. We measured gettering rates of both pretreated and activated NPGs and NPGs that had been activated without first being pre-heat treated. We found that the NPGs without the first post-plating heating step had up to a seven times slower gettering rate and obtained higher plateau pressures due to the contaminated surface. Thus, the pre-heat treatment in air before activation is necessary to avoid slower gettering rates and higher plateau pressures.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Challenges and Strategies to Advance High-Energy Nickel-Rich Layered Lithium Transition Metal Oxide Cathodes for Harsh Operation

Nickel-rich layered lithium transition metal oxides (LiNi 1–x–y Co x Mn y O 2 and LiNi 1–x–y Co x Al y O 2 , x + y ≤ 0.2) are the most attractive cathode materials for the next generation lithium-ion batteries for automotive application. However, they suffer from structural/interfacial instability during repeated charge/discharge, resulting in severe performance degradation and serious safety concerns. Here we provide a comprehensive review about challenges and strategies to advance nickel-rich layered cathodes specifically for harsh (high-voltage, high-temperature, and fast charging) operations. Firstly, the degradation pathways of nickel-rich cathodes including surface/interface degradation, undesired cathode–electrolytes parasitic reactions, gas evolution, inter/intragranular cracking, and electrical/ionic isolation are discussed. Then, recent achievements in stabilizing the structure/interface of nickel-rich cathodes via surface coating, cation/anion doping, composition tailoring, morphology engineering, and electrolytes optimization are summarized. Moreover, challenges and strategies to improve the performance of Ni-rich cathodes at the electrode level are discussed. Outlook and perspectives to promote the practical application of nickel-rich layered cathodes toward automotive application are provided as well.

25 ENERGY STORAGE↗

DOE OSTI2020

Atomically Dispersed Nickel(I) on an Alloy‐Encapsulated Nitrogen‐Doped Carbon Nanotube Array for High‐Performance Electrochemical CO 2 Reduction Reaction

Abstract Single‐atom catalysts (SACs) show great promise for electrochemical CO 2 reduction reaction (CRR), but the low density of active sites and the poor electrical conduction and mass transport of the single‐atom electrode greatly limit their performance. Herein, we prepared a nickel single‐atom electrode consisting of isolated, high‐density and low‐valent nickel(I) sites anchored on a self‐standing N‐doped carbon nanotube array with nickel–copper alloy encapsulation on a carbon‐fiber paper. The combination of single‐atom nickel(I) sites and self‐standing array structure gives rise to an excellent electrocatalytic CO 2 reduction performance. The introduction of copper tunes the d‐band electron configuration and enhances the adsorption of hydrogen, which impedes the hydrogen evolution reaction. The single‐nickel‐atom electrode exhibits a specific current density of −32.87 mA cm −2 and turnover frequency of 1962 h −1 at a mild overpotential of 620 mV for CO formation with 97 % Faradic efficiency.

Zhang, Tianyu↗

DOE OSTI2020

Temperature dependence of nickel ion release from nitinol medical devices

Abstract Nitinol exhibits unique (thermo)mechanical properties that make it central to the design of many medical devices. However, nitinol nominally contains 50 atomic percent nickel, which if released in sufficient quantities, can lead to adverse health effects. While nickel release from nitinol devices is typically characterized using in vitro immersion tests, these evaluations require lengthy time periods. We have explored elevated temperature as a potential method to expedite this testing. Nickel release was characterized in nitinol materials with surface oxide thickness ranging from 12 to 1564 nm at four different temperatures from 310 to 360 K. We found that for three of the materials with relatively thin oxide layers, ≤ 87 nm nickel release exhibited Arrhenius behavior over the entire temperature range with activation energies of 80 to 85 kJ/mol. Conversely, the fourth ''black–oxide'' material, with a much thicker, complex oxide layer, was not well characterized by an Arrhenius relationship. Power law release profiles were observed in all four materials; however, the exponent from the thin oxide materials was approximately 1/4 compared with 3/4 for the black–oxide material. To illustrate the potential benefit of using elevated temperature to abbreviate nickel release testing, we demonstrated that a > 50 day 310 K release profile could be accurately recovered by testing for less than 1 week at 340 K. However, because the materials explored in this study were limited, additional testing and mechanistic insight are needed to establish a protective temperature scaling that can be applied to all nitinol medical device components.

Saylor, David M.↗

DOE OSTI2025

A Mössbauer Spectroscopy Investigation of Nickel‐Zinc Ferrites Synthesized by a Self‐Combustion Method for Soft Magnetic Core Applications

Soft ferrites are materials of interest for magnetic cores, as used for wireless charging transformers. Their low permeabilities, high resistivity, and magnetic polarization make them interesting for high-power electric vehicle charging and drive systems. The nickel-zinc-doped ferrites are of particular interest; however, the compositional space is quite large with respect to dopant concentrations, stoichiometric ratios and synthesis technique. Nickel-zinc spinel ferrites with varying nickel-zinc ratios prepared by a self-combustion reaction followed by heat treatment exhibit good crystallinity, and their low-temperature Mössbauer spectra show local magnetism and site occupation in agreement with materials prepared by solid-state reaction. Thus, the combustion synthesis method offers a facile tunability of compositions, which, combined with the possibility of rapid characterization of atomic-scale magnetism by Mössbauer spectroscopy, enables advances in the compositional and processing space at a fast pace. Low-temperature Mössbauer spectroscopy data for samples with increasing nickel content reveals a systematic increase in average hyperfine field (2.8 T/Ni) and decrease in average isomer shift (−0.036 mm/s/Ni) that can determine the nickel/zinc content, even in the absence of applied magnetic field data. Furthermore, a gradual evolution of color is also observed with increasing nickel content, albeit trends in color depend on sintering conditions.

Mössbauer spectroscopy↗

DOE OSTI2025

Discovery and Characterization of a Metastable Cubic Interstitial Nickel–Carbon System with an Expanded Lattice

Metastable, i.e., kinetically favored but thermodynamically not stable, interstitial solid solutions of carbon in iron are well-understood. Carbon can occupy the interstitial atoms of the host metal, altering its properties. Alloying of the host metal results in the stabilization of the FeC x phases, widening its application. Pure nickel finds niche applications, mainly focusing on catalysis, while nickel alloys are widely applied, e.g., in gas turbines, reactors, and seawater piping. Nickel carbide (Ni 3 C) is the well-known stable Ni–C system displaying a rhombohedral (R3̅c) crystal structure. Some reports describe an elusive cubic Ni–C system, observed during certain catalytic reactions occurring on nickel and formed by the occupation of the interstitials of the metal with carbon: to date, the stabilization and characterization of this phase have not been accomplished. Hereby, we report on the synthesis of a cubic metastable NiC x phase using chemical vapor deposition of methane on supported nickel nanoparticles. The structure was predicted by DFT/ReaxFF, synthesized and monitored with in situ time-resolved synchrotron XRD, and experimentally confirmed by Rietveld refinement and (S)TEM-EELS under ambient conditions. The results show an Fm3̅m phase with a lattice parameter of a = 3.749 ± 0.037 Å at room temperature, with the highest ever reported atomic percentage of carbon occupying the octahedral interstices of 23.1%, resulting in a NiC 0.3 phase. The degree of occupation of the interstitial voids by carbon can be controlled, enabling the tuning of the host metal’s d-spacing and composition, highlighting the applicability of this synthesis route for catalytic nanoparticle preparation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗