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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Orthopyroxene as a recorder of lunar crust evolution: An ion microprobe investigations of Mg-suite norites

The lunar Mg suite, which includes dunites, troctolites, and norites, could make up 20-30% of the Moon's crust down to a depth of 60 km. The remainder is largely anorthositic. This report focuses on norites because we have found that the chemical characteristics of orthopyroxene are effective recorders of their parental melt compositions. Many of the samples representing the Mg suite are small and unrepresentative. In addition, they are cumulates and thus are difficult to study by whole-rock techniques. Therefore, we decided to study these rocks by SIMS techniques to analyze a suite of trace elements in orthopyroxene. The 12 norite samples were selected from a recent compilation by Warren who attempted to select the best candidate samples from the standpoint of their pristine character. Our present database includes greater than 300 superior Electromagnetic Pulse (EMP) analyses and greater than 50 scanning ion mass spectroscopy (SIMS) analyses for 8 Rare Earth Elements (REE), Zr, Y, and Sr. The Mg#s for the parental melts calculated from Mg#s in orthopyroxene show that most melts have Mg#s in the range of 0.36-0.60. This compares with a range of Mg#s for lunar volcanic picritic glass beads of 0.4-0.68. Therefore, although the cumulate whole-rock compositions of the Mg suite can be extremely magnesian, the calculated parental melts are not anomalously high in Mg. A chemical characteristic of the Mg-suite norites that is more difficult to explain is the high KREEP content of the calculated parental melts. The REE contents for the calculated norite parental melts have REE that match or exceed the high-K KREEP component of Warren. Therefore, mixing of a KREEP component and a picritic melt cannot, by itself, explain the high estimated REE contents of the melts parental to norites. Advanced crystallization following KREEP incorporation, especially of plagiclase, may also be required.

Papike, J. J.↗
NASA NTRS2003

Characterization of Al-Cu-Mg-Ag Alloy RX226-T8 Plate

Aluminum-copper-magnesium-silver (Al-Cu-Mg-Ag) alloys that were developed for thermal stability also offer attractive ambient temperature strength-toughness combinations, and therefore, can be considered for a broad range of airframe structural applications. The current study evaluated Al-Cu-Mg-Ag alloy RX226-T8 in plate gages and compared performance with sheet gage alloys of similar composition. Uniaxial tensile properties, plane strain initiation fracture toughness, and plane stress tearing resistance of RX226-T8 were examined at ambient temperature as a function of orientation and thickness location in the plate. Properties were measured near the surface and at the mid-plane of the plate. Tensile strengths were essentially isotropic, with variations in yield and ultimate tensile strengths of less than 2% as a function of orientation and through-thickness location. However, ductility varied by more than 15% with orientation. Fracture toughness was generally higher at the mid-plane and greater for the L-T orientation, although the differences were small near the surface of the plate. Metallurgical analysis indicated that the microstructure was primarily recrystallized with weak texture and was uniform through the plate with the exception of a fine-grained layer near the surface of the plate. Scanning electron microscope analysis revealed Al-Cu-Mg second phase particles which varied in composition and were primarily located on grain boundaries parallel to the rolling direction. Fractography of toughness specimens for both plate locations and orientations revealed that fracture occurred predominantly by transgranular microvoid coalescence. Introduction High-strength, low-density Al-Cu-Mg-Ag alloys were initially developed to replace conventional 2000 (Al-Cu-Mg) and 7000 (Al-Zn-Cu-Mg) series aluminum alloys for aircraft structural applications [1]. During the High Speed Civil Transport (HSCT) program, improvements in thermal stability were demonstrated for candidate aircraft wing and fuselage skin materials through the addition of silver to Al-Cu-Mg alloys based on Al 2519 chemistry [2]. Thermal stability of the resulting Al-Cu-Mg-Ag alloys, C415-T8 and C416-T8, was due to co-precipitation of the thermally stable . (AlCu) and ' (Al2Cu) strengthening phases [1-4]. The strength and toughness behavior was investigated for these alloys produced as 0.090-inch thick rolled sheet in the T8 condition and after various thermal exposures. The mechanical properties were shown to be competitive with conventional aircraft alloys, 2519-T8 and 2618-T8 [2]. During the Integral Airframe Structure (IAS) program, advanced aluminum alloys were examined for use in an integrally stiffened airframe structure where the skin and stiffeners would be machined from plate and extruded frames would be mechanically attached (see Figure 1) [5]. Advantages of integrally stiffened structure include reduced part count, and reduced assembly times compared to conventional built-up airframe structure. The near-surface properties of a thick plate are of significance for a machined integrally stiffened airframe structure since this represents the skin location. Properties measured at the mid-plane of the plate are more representative of the stiffener web. RX226 was developed to exploit strength-toughness improvements and thermal stability benefits of Al-Cu-Mg-Ag alloys in plate gages. This study evaluated the microstructure and properties of three gages of plate produced in the T8 condition.

Lach, Cynthia L.↗
NASA NTRS2014

On the Lack of Correlation Between Mg II 2796, 2803 Angstrom and Lyman alpha Emission in Lensed Star-Forming Galaxies

We examine the Mg II 2796, 2803 Angstrom, Lyman alpha, and nebular line emission in five bright star-forming galaxies at 1.66 less than z less than 1.91 that have been gravitationally lensed by foreground galaxy clusters. All five galaxies show prominent Mg II emission and absorption in a P Cygni profile. We find no correlation between the equivalent widths of Mg II and Lyman alpha emission. The Mg II emission has a broader range of velocities than do the nebular emission line profiles; the Mg II emission is redshifted with respect to systemic by 100 to 200 km s(exp−1). When present, Lyman alpha is even more redshifted. The reddest components of Mg II and Lyman alpha emission have tails to 500-600 km s(exp−1), implying a strong outflow. The lack of correlation in the Mg II and Lyman alpha equivalent widths, the differing velocity profiles, and the high ratios of Mg II to nebular line fluxes together suggest that the bulk of Mg II emission does not ultimately arise as nebular line emission, but may instead be reprocessed stellar continuum emission.

Emission↗
DOE OSTI2023

Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface

Charge transfer across the electrode–electrolyte interface is a highly complex and convoluted process involving diverse solvated species with varying structures and compositions. Despite recent advances in in situ and operando interfacial analysis, molecular specific reactivity of solvated species is inaccessible due to a lack of precise control over the interfacial constituents and/or an unclear understanding of their spectroscopic fingerprints. However, such molecular-specific understanding is critical to the rational design of energy-efficient solid–electrolyte interphase layers. We have employed ion soft landing, a versatile and highly controlled method, to prepare well-defined interfaces assembled with selected ions, either as solvated species or as bare ions, with distinguishing molecular precision. Equipped with precise control over interfacial composition, we employed in situ multimodal spectroscopic characterization to unravel the molecular specific reactivity of Mg solvated species comprising (i.e., bis(trifluoromethanesulfonyl)imide, TFSI – ) anions and solvent molecules (i.e., dimethoxyethane, DME/G1) on a Mg metal surface relevant to multivalent Mg batteries. In situ multimodal spectroscopic characterization revealed higher reactivity of the undercoordinated solvated species [Mg-TFSI-G1] + compared to the fully coordinated [Mg-TFSI-(G1) 2 ] + species or even the bare TFSI – . These results were corroborated by the computed reaction pathways and energy barriers for decomposition of the TFSI – within Mg solvated species relative to bare TFSI – . Finally, we evaluated the TFSI reactivity under electrochemical conditions using Mg(TFSI) 2 –DME-based phase-separated electrolytes representing different solvated constituents. Based on our multimodal study, we report a detailed understanding of TFSI – decomposition processes as part of coordinated solvated species at a Mg-metal anode that will aid the rational design of improved sustainable electrochemical energy technologies.

25 ENERGY STORAGE↗
DOE OSTI2023

The combined effects of Mg 2+ and Sr 2+ incorporation during CaCO 3 precipitation and crystal growth

Calcite (CaCO 3 ) composition and properties are defined by the chemical environment in which CaCO 3 forms. However, a complete understanding of the relationship between aqueous chemistry during calcite precipitation and resulting chemical and physical CaCO 3 properties remains elusive; therefore, we present an investigation into the coupled effects of divalent cations Sr 2+ and Mg 2+ on CaCO 3 precipitation and subsequent crystal growth. Through chemical analysis of the aqueous phases and microscopy of the resulting calcite phases in compliment with density functional theory calculations, we elucidate the relationship between crystal growth and the resulting composition (elemental and isotopic) of calcite. The results of this experimental and modeling work suggest that Mg 2+ and Sr 2+ have cation-specific impacts that inhibit calcite crystal growth, including: (1) Sr 2+ incorporates more readily into calcite than Mg 2+ (D Sr > D Mg ), and increasing [Sr 2+ ] t or [Mg 2+ ] t increases D Sr ; (2) the inclusion of Mg 2+ into structure leads to a reduction in the calcite unit cell volume, whereas Sr 2+ leads to an expansion; (3) the inclusion of both Mg 2+ and Sr 2+ results in a distribution of unit cell impacts based on the relative positions of the Sr 2+ and Mg 2+ in the lattice. These experiments were conducted at saturation indices of CaCO 3 of ~4.1, favoring rapid precipitation. This rapid precipitation resulted in observed Sr isotope fractionation confirming Sr isotopic fractionation is dependent upon the precipitation rate. We further note that the precipitation and growth of calcite favors the incorporation of the lighter 86 Sr isotope over the heavier 87 Sr isotope, regardless of the initial solution conditions, and the degree of fractionation increases with D Sr . In sum, these results demonstrate the impact of solution environment to influence the incorporation behavior and crystal growth behavior of calcite. These factors are important to understand in order to effectively use geochemical signatures resulting from calcite precipitation or dissolution to gain specific information.

58 GEOSCIENCES↗
DOE OSTI2022

Facile Electrochemical Mg-Ion Transport in a Defect-Free Spinel Oxide

Inversion, i.e. Mg/Mn antisite disorder, in a spinel oxide simultaneously causes blockage of favorable Mg 2+ migration paths, raising activation barriers for diffusion, and it reduces the number of redox-active metals, limiting the maximum capacity in the spinel. Here, an inversion-free spinel, MgCr 1.5 Mn 0.5 O 4 , was synthesized by exploiting the different intrinsic crystal field stabilization of redox-active Cr and Mn in the form of a solid-solution. The capability of the tailored spinel to reversibly (de)intercalate Mg 2+ at high redox potentials was investigated. The decrease in inversion dramatically lowered the electrochemical overpotential and hysteresis, and enabled utilization of high potentials at ~2.9 V (vs. Mg/Mg 2+ ) upon re-intercalation of Mg 2+ . A combination of characterization techniques reveals that the structural, compositional, and redox changes within the spinel oxide were consistent with the observed electrochemical Mg 2+ activity. Quantification of selective solely to lattice Mg 2+ upon the electrochemical reaction was investigated by monitoring NMR signals in isotope 25 Mg-enriched spinel oxides. Our findings enhance the understanding of Mg 2+ transport within spinel oxide frameworks and provide conclusive evidence for bulk Mg migration in oxide lattices at high redox potentials with minimized electrochemical hysteresis.

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

Carbonation and Sulfidation of Mg- and Ni-Containing Solutions: Implications for Carbon Mineralization and Critical Element Recovery

Carbonation of alkaline earth metals ( e.g. , magnesium (Mg)) and sulfidation of nickel (Ni) are promising methods to achieve concurrent carbon mineralization and selective Ni recovery. However, the coexistence of alkaline earth metals and Ni from silicate ores or mining wastewater complicates the carbonation and sulfidation owing to cation coprecipitation. To better understand simultaneous metal carbonation and Ni-sulfide formation, we used Mg- and Ni-containing solutions and systematically investigated the Mg and Ni coprecipitates’ phase transformation during sequential/concurrent carbonation and sulfidation. During a single carbonation process, hydromagnesite dehydrated and formed magnesite over time. Nickel bicarbonate formed and became a Mg–Ni carbonate solid solution because of their similar ionic radii. During a single sulfidation process, the pH did not affect Ni-sulfide formation, but it controlled Mg behavior. Specifically, at pH 9.6, brucite formed, while at pH 7.8, Mg 2+ remained in the solution. For the sequential carbonation–sulfidation process, Ni-carbonate formed during carbonation converted to Ni-sulfide because of the low Ni-sulfide K sp . For the sulfidation–carbonation process, Ni-sulfide remained the same even after carbonation and Mg-carbonate precipitates. For the concurrent carbonation and sulfidation process, Mg-carbonate and Ni-sulfide formed simultaneously. Finally, this study develops a scientific foundation of carbonation and sulfidation processes, benefiting coupled CO 2 storage and sulfide-enabled resource recovery.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Impact of Mg Substitution on the Structure, Stability, and Properties of the Na 2 Fe 2 F 7 Weberite Cathode

Of the few weberite-type Na-ion cathodes explored to date, Na 2 Fe 2 F 7 exhibits the best performance, with capacities up to 184 mAh/g and energy densities up to 550 Wh/kg reported for this material. However, the development of robust structure–property relationships for this material is complicated by its tendency to form as a mixture of metastable polymorphs, and transform to a lower-energy Na y FeF 3 perovskite compound during electrochemical cycling. Our first-principles-guided exploration of Fe-based weberite solid solutions with redox-inactive Mg 2+ and Al 3+ predicts an enhanced thermodynamic stability of Na 2 Mg x Fe 2–x F 7 as the Mg content is increased, and the x = 0.125 composition is selected for further exploration. We demonstrate that the monoclinic polymorph (space group C2/c) of Na 2 Fe 2 F 7 (Mg0) and of a new Mg-substituted weberite composition, Na 2 Mg 0.125 Fe 1.875 F 7 (Mg0.125), can be isolated using an optimized synthesis protocol. The impact of Mg substitution on the stability of the weberite phase during electrochemical cycling, and on the extent and rate of Na (de)intercalation, is examined. Irrespective of the Mg content, we find that the weberite phase is retained when cycling over a narrow voltage window (2.8–4.0 V vs Na/Na+). Over a wider voltage range (1.9–4.0 V), Mg0 shows steady capacity fade due to its transformation to the NayFeF3 perovskite phase, while Mg0.125 displays more reversible cycling and a reduced phase transformation. Yet, Mg incorporation also leads to kinetically limited Na extraction and a reduced overall capacity. These findings highlight the need for the continued compositional optimization of weberite cathodes to improve their structural stability while maximizing their energy density.

25 ENERGY STORAGE↗
DOE OSTI2025

Ultraselective sequestration of Li + and Mg 2+ from brines via a reusable polyoxoniobate-based ion sponge

Lithium (Li) and magnesium (Mg) are designated as critical mineral materials (CMM) due to their essential roles in clean energy technologies. However, extracting high-purity Li + from brine remains a formidable challenge owing to the presence of Mg 2+ , a physicochemical similar ion that often exists in excess. Here, we introduce a polyoxoniobate-based “Mg-PONb sponge” that enables ultraselective and rapid Li + /Mg 2+ separation across an exceptionally broad range of Mg/Li ratios (0.02 to 200.63). This framework achieves >99.9% Mg 2+ removal with negligible Li + loss in under 1 min, yielding Li + /Mg 2+ selectivity values exceeding 5000. The sponge demonstrates excellent recyclability, maintaining >99% Mg 2+ rejection and Li + permeability across five regeneration cycles without structural degradation. Mechanistic investigations reveal that selective Mg 2+ capture originates from strong coordination with terminal oxygens on the PONb cluster, driving rapid formation of porous Mg-PONb frameworks. This work presents a generalizable, scalable strategy for Li + /Mg 2+ separation and offers a sustainable path toward enhanced Li and Mg recovery from complex brine sources.

Chen, Linfeng [Lawrence Berkeley National Laborato↗
DOE OSTI2023

Proton branching ratios in 22 Mg for X-ray bursts

Here, decay protons from 22 Mg energy levels populated through a previously reported 24 Mg(p, t) 22 Mg transfer reaction (Chae et al. in Phys Rev C 79:055804, 2009) have been analyzed for proton branching ratios as a follow-up analysis. The measurement was performed at the Holifield Radioactive Ion Beam Facility of Oak Ridge National Laboratory by utilizing 41-MeV proton beams and 24 Mg solid targets. Decay protons and reaction tritons were simultaneously detected with a silicon detector array. By investigating the 24 Mg(p, t) 22 Mg*(p) 21 Na channels, the proton branching ratios of five 22 Mg excited states were obtained. The measured branching ratios provide constraints on the proton partial widths of the populated 22 Mg levels, which have implications for X-ray burst nucleosynthesis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2006

Formation of "Chemically Pure" Magnetite from Mg-Fe-Carbonates Implications for the Exclusively Inorganic Origin of Magnetite and Sulfides in Martian Meteorite ALH84001

Magnetite and sulfides in the black rims of carbonate globules in Martian meteorite ALH84001 have been studied extensively because of the claim by McKay et al. that they are biogenic in origin. However, exclusively inorganic (abiotic) processes are able to account for the occurrence of carbonate-sulfide-magnetite assemblages in the meteorite. We have previously precipitated chemically zoned and sulfide-bearing carbonate globules analogous to those in ALH84001 (at less than or equal to 150 C) from multiple fluxes of variable-composition Ca-Mg-Fe-CO2-S-H2O solutions. Brief heating of precipitated globules to approx. 470 C produced magnetite and pyrrhotite within the globules by thermal decomposition of siderite and pyrite, respectively. We have also shown that morphology of magnetite formed by inorganic thermal decomposition of Fe-rich carbonate is similar to the morphology of so-called biogenic magnetite in the carbonate globules of ALH84001. Magnetite crystals in the rims of carbonate globules in ALH84001 are chemically pure [Note: "Chemically pure" is defined here as magnetite with Mg at levels comparable or lower than Mg detected by [8] in ALH84001 magnetite]. A debate continues on whether or not chemically pure magnetite can form by the thermal decomposition of mixed Mg-Fe-carbonates that have formed under abiotic conditions. Thomas-Keprta et al. argue that it is not possible to form Mg-free magnetite from Mg-Fe-carbonate based on thermodynamic data. We previously suggested that chemically pure magnetite could form by the thermal decomposition of relatively pure siderite in the outer rims of the globules. Mg-Fe-carbonates may also thermally decompose under conditions conducive for formation of chemically pure magnetite. In this paper we show through laboratory experiments that chemically pure magnetite can form by an inorganic process from mixed Mg-Fe-carbonates.

Golden, D. C.↗
NASA NTRS2011

The Solar Spectral Irradiance as a Function of the Mg II Index for Atmosphere and Climate Modelling

In this paper we present a new method to reconstruct the solar spectrum irradiance in the Ly alpha-400 nm region, and its variability, based on the Mg II index and neutron monitor. Measurements of the solar spectral irradiance available in the literature have been made with different instruments at different times and different spectral ranges. However, climate studies require harmonized data sets. This new approach has the advantage of being independent of the absolute calibration and aging of the instruments. First, the Mg II index is derived using solar spectra from Ly alpha (121 nm) to 410 nm measured from 1978 to 2010 by several space missions. The variability of the spectra with respect to a chosen reference spectrum as a function of time and wavelength is scaled to the derived Mg II index. The set of coefficients expressing the spectral variability can be applied to the chosen reference spectrum to reconstruct the solar spectra within a given time frame or Mg II index values. The accuracy of this method is estimated using two approaches: by direct comparison with particular cases where solar spectra are available from independent measurements, and by calculating the standard deviation between the measured spectra and their reconstruction. From direct comparisons with measurements we obtain an accuracy of about 1 to 2 %, which degrades towards Ly alpha. In a further step, we extend our solar spectral irradiance reconstruction back to the Maunder Minimum introducing the relationship between the Mg II index and the neutron monitor data. Consistent measurements of the Mg II index are not available prior to 1978. However, we observe that over the last three solar cycles, the Mg II index shows strong correlation with the modulation potential determined from the neutron monitor data. Assuming that this correlation can be applied to the past, we reconstruct the Mg II index from the modulation potential back to the Maunder Minimum, and obtain the corresponding solar spectral irradiance reconstruction back to that period. As there is no direct measurement of the spectral irradiance for this period we discuss this methodology in light of the other proposed approaches available in the literature. The use of the cosmogenic isotope data provides a major advantage: it provides information about the solar activity over several thousands years. Using technology of today we can calibrate the solar irradiance against the activity and thus reconstruct it for the times when cosmogenic isotope data are available. This calibration can be re-accessed at any time, if necessary.

Thuillier, Gerard↗
DOE OSTI2025

Demonstration of MgCr 2– x Mn x O 4 Spinel Oxide Cathodes in High-Voltage Mg Batteries

Solid-solution oxide spinels with high redox voltages and facile Mg 2+ mobility have been identified as promising candidates for practical, high-voltage cathodes in Mg batteries. In this work, we discuss the development of MgCr 2-x Mn x O 4 [x = 0.5, 1, 1.2] solid-solution spinel oxides as a cathode material and their electrochemical performance paired with an Mg anode in a full cell. This work presents the first demonstration of full cells with these materials. Mg-Cr-Mn spinel oxides with varying Cr and Mn contents were synthesized using alternative synthetic routes for optimal electrochemical performance. High-resolution synchrotron powder X-ray diffraction (PXRD), solid-state nuclear magnetic resonance (NMR) spectroscopy, and electron microscopy showed that these different synthetic routes resulted in changes in structures and particle morphologies, which in turn affect the electrochemical performance. Particularly, the urea coprecipitation synthetic route resulted in high-surface-area particles that enabled lower overpotentials and increased discharge capacity. The high surface area also resulted in expedited structural degradation caused by the irreversible migration of Mg 2+ into normally vacant 16c sites in the spinel lattice. This structural degradation was lessened by using a hydrosauna-urea synthesis method, which decreased the Mg/Mn inversion ratio while retaining high-surface-area particles with good cycling performance. Furthermore, our findings highlight the necessity for high surface area or nanostructured spinel oxide cathodes with minimized Mg-Mn inversion to enable spinel oxide cathodes in Mg full cells.

Mg anode↗
DOE OSTI2024

Utilizing integrated neutron diffraction and elastoplastic self-consistent crystal plasticity model to quantitatively assess the strengthening mechanism in Al–12.5Ce and Al–12.5Ce–0.4Mg alloys

An integrated in-situ neutron diffraction and elastic plastic self-consistent crystal plasticity (EPSC-CP) modeling scheme is performed on a binary Al–12Ce alloy and a ternary Al–12Ce–0.4Mg alloys. Using this scheme, the constitutive parameters, i.e. elastic constants and slip system parameters of individual phases can be calibrated which can be used in microstructure-based CP models to predict materials performance. From this study, it is shown that the elastic constants of Al 11 Ce 3 intermetallics calculated from density function theory calculation in the literature are rather accurate. When applied to the EPSC-CP model, the lattice strains of both the binary and ternary alloys are correctly predicted as compared with experiments, and large lattice strain differences between Al (100) plane and Al 11 Ce 3 (010) plane are demonstrated. The slip system parameters calibrated by the scheme shows that the addition of 0.4 wt% Mg in the alloy has little influence on the critical resolved shear stress of initial dislocation glide in the Al matrix which caused plastic yield in the material. This can be explained by the very dilute Mg solute content in the Al solid solution, causing large spacing of Al–Mg lattice misfit sites and little impact on resistance of dislocation glide at initial yield. The 0.4 wt% Mg addition, on the other hand, has a large influence on the hardening term in the slip system parameters, indicating those Al–Mg misfit sites do help dislocation accumulation during the deformation. The impact of dilute Mg addition on the Al slip system parameters is also reflected in the flow behavior of the ternary alloy: little impact on the yield stress, but a large impact on working hardening and tensile strength of the materials which is consistent with the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Stabilizing magnesium plating by a low-cost inorganic surface membrane for high-voltage and high-power Mg batteries

Mg batteries with halide-free electrolytes suffer from poor stability of the Mg metal anode due to electrolyte decomposition. Here, we report a low-cost zeolite membrane supported on Mg to address this challenge. It vastly reduces the population (hence decomposition) of free diglyme at the Mg/electrolyte interface, while allowing facile transport of Mg 2+ cations through the membrane. We demonstrate dendrite-free Mg plating/stripping performance in a magnesium tetrakis(hexafluoroisopropyloxy)borate/diglyme electrolyte with a 750-fold extended lifetime (over 6,000 h) and a high coulombic efficiency of ~98%. The prototype Mo 3 S 4 cathode paired with the protected Mg anode shows 91% capacity retention over 200 cycles. Importantly, this membrane protects soluble species in a high-voltage organic polymer cathode from being reduced at the anode via shuttling, achieving a full cell with a 3.5 V cutoff voltage. This results in a high specific energy density of 320 Wh kg –1 and a power density of 1,320 W kg –1 based on cathode mass.

25 ENERGY STORAGE↗
DOE OSTI2021

2D Mg-Cu Intermetallic Compounds with Nontrivial Band Topology and Dirac Nodal Lines

Synthesis of vertical heterostructures that include atomically thin layers of materials with topologically nontrivial energy bands is desirable for exploring exotic quantum states. In this study, the authors report on atomic-layer-by-layer deposition of magnesium on copper(111) surface by molecular beam epitaxy, monitored in situ by low-energy electron microscopy and diffraction, and modeled by ab initio theory. It is found that a 2D MgCu 2 intermetallic compound forms during initial Mg deposition and persists till a full monolayer of Mg is formed. Deposition of additional Mg triggers a phase transition from the commensurate MgCu 2 to an incommensurate Mg 2 Cu layer and enables growth of the second layer of Mg. Ab initio calculations indicate non-trivial topology of the electron bands in the interfacial Mg 2 Cu layer and the existence of Dirac nodal lines near the Fermi level. The new 2D Mg 2 Cu material emerges as a promising platform to study new topological states of matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Codesigning Alloy Compositions of CdSe y Te 1− y Absorbers and Mg x Zn 1− x O Contacts to Increase Solar Cell Efficiency

Thin‐film solar cells such as CdTe are a major commercial photovoltaic technology, with more than 25 GW installed worldwide and levelized costs of electricity competitive with fossil fuels. Further progress may result from integrating CdSe y Te 1− y absorbers with Mg x Zn 1− x O contacts, but the device efficiency is difficult to maximize due to coupled dependence on chemical composition of both alloys. Herein, a high‐throughput approach is demonstrated to codesign chemical compositions in alloyed Mg x Zn 1− x O/CdSe y Te 1− y thin‐film solar cells, using combinatorial libraries of PV devices with orthogonal composition gradients in CdSe y Te 1− y absorbers and Mg x Zn 1− x O contacts. It is found that the solar cell performance is a strong and coupled function of both elemental compositions, with efficiency up to 17.7% ( V OC = 836 mV, fill factor = 69%, J SC = 30.6 mA cm −2 ) at atomic compositions of Mg/(Mg + Zn) ≈18% and average Se/(Se + Te) ≈4%. These performance trends among >100 devices are explained by >100 ns lifetime of photoexcited charge carriers at the Mg x Zn 1− x O/CdSe y Te 1− y interface where strong Se accumulation is also observed. This study reports the optimal compositions of the commercially relevant Mg x Zn 1− x O/CdSe y Te 1− y solar cells and demonstrates a general approach to codesigning performance of alloyed thin‐film solar cells and other optoelectronic devices.

14 SOLAR ENERGY↗
DOE OSTI2021

Activation of dislocations in Mg with solute Y

Mg-Y cast alloy shows excellent ductility (elongation to failure > 15%) compared with pure Mg and commercial Mg cast alloys. By monitoring the microstructure evolution during an in situ tensile test of a Mg-2.5 wt%Y alloy, we identify the activation of prismatic slip, which is rare in Mg. Synchrotron X-ray micro-beam Laue diffraction (μ-Laue) and transmission electron microscopy revealed the morphology of prismatic slip bands and individual dislocations. Density functional theory and molecular dynamics calculations indicate that solute Y can significantly reduce the stacking fault energy (SFE) along direction on prismatic plane in Mg lattice and thus facilitate the nucleation of dislocations during deformation. The presence of free dislocations in the Mg lattice can also lead to nucleation of {10–12} twins even under unfavorable geometric conditions.

36 MATERIALS SCIENCE↗