The importance of the Mg–Mg interaction in Mg 3 Sb 2 –Mg 3 Bi 2 shown through cation site alloying
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Max Wood↗
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Subdivision of the Mg-suite noritic rocks into Mg-gabbronorites and Mg-norites
Mg-suite noritic rocks can be divided into two groups, the Mg-gabbronorites and the Mg-norites. The rocks of these groups differ in ratios of high-Ca pyroxene to total pyroxene, compositions of pyroxene and plagioclase, assemblages of Ti-, Nb-, and Zr-bearing minerals, compositions of chrome spinel, bulk-rock Ti/Sm and Sc/Sm, and measured ages. The two groups probably crystallized from different types of parent magmas. Two hypotheses are offered for the differences in composition of the parent magmas. One hypothesis ascribes the differences to compositional heterogeneity of the mantle source areas. The other hypothesis ascribes the differences to variations in extent of partial melting of the mantle source regions and variations in extent of assimilation of the anorthosite and the highly differentiated residual liquid that were produced during the primordial lunar differentiation.
James, O. B.↗
Mg-Ion Conduction in Antiperovskite Solid Electrolytes Revealed by 25 Mg Ultrahigh Field NMR and First-Principles Calculations
Magnesium-ion batteries hold the potential to outperform the energy density of lithium-ion batteries, given the divalent charge carried by each Mg 2+ cation, but remain in an early stage of development. Here, in this study, 25 Mg solid-state nuclear magnetic resonance (ssNMR) is used to gain insight into the local structure and Mg-ion dynamics of candidate Mg-ion solid electrolytes, the antiperovskites Mg 3 SbN and Mg 3 AsN. Using the highest available magnetic field (35.2 T) for high-resolution solid-state NMR, the largest 25 Mg quadrupole coupling constants (C Q ) yet measured of up to 22 MHz are reported and corroborated by first-principles calculations. Predicted C Q values are shown to correlate with the antiperovskite’s tolerance factor; thus, 25 Mg NMR linewidths can report on lattice distortions and phase stability of these antiperovskites. Variable-temperature 25 Mg NMR spectra demonstrate changes at elevated temperatures, ascribed to Mg-ion motional effects. 25 Mg T 1 relaxometry measurements at ultrahigh field reveal a lower activation energy for the more distorted Mg 3 AsN phase, matching computational predictions of a lower energy barrier for Mg 2+ ion migration and suggesting that additional scrutiny of antiperovskites as Mg-ion conductors is warranted. Given the inherent challenges of 25 Mg NMR, this work demonstrates the benefits of combining ultrahigh field NMR spectroscopy, advanced pulse sequences, modern signal processing, and first-principles calculations to facilitate NMR of quadrupolar nuclei as a tool to probe the local structure and ion dynamics in beyond-Li battery materials.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Global Investigation of the Mg Atom and ion Layers using SCIAMACHY/Envisat Observations between 70 km and 150 km Altitude and WACCM-MG Model Results
Mg and Mg+ concentration fields in the upper mesosphere/lower thermosphere (UMLT) region are retrieved from SCIAMACHY/Envisat limb measurements of Mg and Mg+ dayglow emissions using a 2-D tomographic retrieval approach. The time series of monthly means of Mg and Mg+ for number density as well as vertical column density in different latitudinal regions are shown. Data from the limb mesosphere-thermosphere mode of SCIAMACHY/Envisat are used, which covers the 50 km to 150 km altitude region with a vertical sampling of 3.3 km and a highest latitude of 82 deg. The high latitudes are not covered in the winter months, because there is no dayglow emission during polar night. The measurements were performed every 14 days from mid-2008 until April 2012. Mg profiles show a peak at around 90 km altitude with a density between 750 cm(exp−3) and 2000 cm(exp−3). Mg does not show strong seasonal variation at mid-latitudes. The Mg+ peak occurs 5-15 km above the neutral Mg peak at 95-105 km. Furthermore, the ions show a significant seasonal cycle with a summer maximum in both hemispheres at mid- and high-latitudes. The strongest seasonal variations of the ions are observed at mid-latitudes between 20-40 deg and densities at the peak altitude range from 500 cm(exp−3) to 6000 cm(exp−3). The peak altitude of the ions shows a latitudinal dependence with a maximum at mid-latitudes that is up to 10 km higher than the peak altitude at the equator. The SCIAMACHY measurements are compared to other measurements and WACCM model results. In contrast to the SCIAMACHY results, the WACCM results show a strong seasonal variability for Mg with a winter maximum, which is not observable by SCIAMACHY, and globally higher peak densities. Although the peak densities do not agree the vertical column densities agree, since SCIAMACHY results show a wider vertical profile. The agreement of SCIAMACHY and WACCM results is much better for Mg+, showing the same seasonality and similar peak densities. However, there are the following minor differences: there is no latitudinal dependence of the peak altitude for WACCM and the density maximum, passing the equatorial region during equinox conditions, is not reduced as for SCIAMACHY.
SCIAMACHYEnvisat↗
Higher Dimensionality in the Mg–Co–B System: Synthesis and Structure of Incommensurate Composite Mg 1+ε Co 4 B 4
Guided by high-temperature in situ X-ray diffraction, the discovery and synthesis of Mg 1+ε Co 4 B 4 (ε ≈ 0.272) using a MgH 2 hydride precursor is reported, along with a detailed crystal structure description and measurement of magnetic properties. The mismatch in lattice periodicities between Mg and Co–B substructures places Mg 1+ε Co 4 B 4 in the family of incommensurate composite crystals and prompted structural refinement in a (3 + 1)-dimensional model. The structure of Mg 1+ε Co 4 B 4 (P4 2 /ncm(00γ)s00s, a = 6.75847(7) Å, c = 3.94007(8) Å, q = (0, 0, 1.2721(3))) was refined from neutron powder diffraction and high-resolution powder X-ray diffraction data and confirmed by scanning transmission electron microscopy and electron diffraction. Mg 1+ε Co 4 B 4 is isostructural to Nd 1+ε Fe 4 B 4 and several related ternary borides with 0.07 ≤ ε ≤ 0.17, with Mg occupying the rare-earth site. Satellite reflections in the electron diffraction patterns hinted at positional modulation of the transition metal–boron substructure by Mg atoms, but this could not be refined from the neutron or X-ray diffraction data. Low-temperature magnetic measurements show no indications of long-range magnetic ordering or superconductivity down to 5 K. DFT calculations confirmed the absence of a magnetically ordered ground state and the stability of a 5:4 supercell (ε = 0.25) relative to the fully commensurate structure. Neutron diffraction and synthesis from elemental Mg demonstrated that Mg 1+ε Co 4 B 4 is not a hydrogen-stabilized phase. Mg 1+ε Co 4 B 4 represents the second compound reported in the Mg–Co–B system and the first superspace symmetry model of a Nd 1+ε Fe 4 B 4 -type incommensurate composite compound refined from powder diffraction data.
chemical structure↗
Kinetic and modeling studies of the mechanism of the dehydrogenation of Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2
Since its discovery over 15 years ago, the reversible dehydrogenation of Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2 has remained one of the more intriguing hydrogen-cycling systems. While the mechanism of this reaction has been the subject of a good deal of speculation and computational studies, prior to this work it had not been probed through kinetic studies. Previous reports of the dehydrogenation of Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2 have not included kinetic studies. The present studies have shown that the dehydrogenation of Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2 is suppressed by hydrogen pressure indicating that the rate-limiting step in this process involves hydrogen elimination. Computational modeling of kinetic data obtained from monitoring the hydrogen elimination from Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2 under static vacuum over a range of temperatures supports that the dehydrogenation occurs through a reversible three-step process in which the elimination of hydrogen from the [B 3 H 10 ] − intermediate is rate limiting. A mechanism involving the low energy transfer of neighboring BH3 groups is proposed to account for the formation of [B 3 H 8 ] − at relatively low temperatures.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
The Role of KREEP in the Production of Mg-Suite Magmas and Its Influence on the Extent of Mg-Suite Magmatism in the Lunar Crust
The lunar magnesian-suite, or Mg-suite, is a series of ancient plutonic rocks from the lunar crust. They have received a considerable amount of attention from lunar scientists since their discovery for three primary reasons: 1) their ages and geochemistry indicate they represent pristine magmatic samples that crystallized very soon after the formation of the Moon; 2) their ages often overlap with ages of the ferroan anorthosite (FAN) crust; and 3) planetary-scale processes are needed in formation models to account for their unique geochemical features. Taken as a whole, the Mg-suite samples, as magmatic cumulate rocks, approximate a fractional crystallization sequence in the low-pressure forsterite-anorthite-silica system, and thus these samples are generally thought to be derived from layered mafic intrusions which crystallized very slowly from magmas that intruded the anorthositic crust. However, no direct linkages have been established between different Mg-suite samples based either on field relationships or geochemistry.The model for the origin of the Mg-suite, which best fits the limited available data, is one where Mg-suite magmas form from melting of a hybrid cumulate package consisting of deep mantle dunite, crustal anorthosite, and KREEP (potassium-rare earth elements-phosphorus) at the base of the crust under the Procellarum KREEP Terrane (PKT). In this model, these three LMO (Lunar Magma Ocean) cumulate components are brought into close proximity by the cumulate overturn process. Deep mantle dunitic cumulates with an Mg number of approximately 90 rise to the base of the anorthositic crust due to their buoyancy relative to colder, more dense Fe- and Ti-rich cumulates. This hybridized source rock melts to form Mg-suite magmas, saturated in Mg-rich olivine and anorthitic plagioclase, that have a substantial KREEP component.
Elardo, S. M.↗
Low temperature dry reforming of methane using Ru-Ni-Mg/ceria-zirconia catalysts: Effect of Ru loading and reduction temperature
Dry reforming catalysts, especially those with activity at moderate temperatures, have been intensely investigated to enhance the conversion of biogas. Here, Ru is evaluated as a promoter for Ni-Mg based catalysts. Catalysts based on 1.4 wt%Ni-1.0 wt%Mg-Ce 0.6 Zr 0.4 O 2 with Ru (0.02–0.32 wt%) were prepared using incipient wetness. The reducibility of the catalysts and conversions increased with increasing Ru content. Increases in conversions with increasing Ru loading was attributed to the additional active sites and synergistic effect between Ru and Ni, which weakened Ni-Mg interactions. Samples showed dry reforming activity at low temperatures (450–510 °C). Reaction rates and activation energies of higher loading Ru samples (1.4 wt%Ni-1.0 wt%Mg/Ce 0.6 Zr 0.4 O 2 with 0.16 and 0.32 wt%Ru) decreased when the reduction temperature was raised from 300 to 400 °C. A 20 h TOS study showed stable catalytic activity with minimal coke deposition. Furthermore, the results suggest that Ru is an alternative to Pt in promoting low temperature dry reforming of methane.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Isolating intermediate Mg 11 Cu 6 Al 12 phase in ternary Mg-Cu-Al alloy by electrolytic dealloying
While dealloying is widely used to create nanoporous materials, it has rarely been employed to isolate difficult-to-synthesize intermediate phases. Here, in this work, we show how air-free, electrolytic dealloying at room temperature can be used to isolate the ternary intermetallic Mg 11 Cu 6 Al 12 phase. We create a ternary Mg-Cu-Al parent alloy containing the Mg 11 Cu 6 Al 12 compound and other phases, then subsequently remove these other phases via electrolytic dealloying to isolate the Mg 11 Cu 6 Al 12 phase. Isolated Mg 11 Cu 6 Al 12 phase exhibits ≈1 μm diameter rod-shaped microstructure. Phase and chemical analysis conducted using various techniques, including inductively coupled plasma and lab and synchrotron-based X-ray diffraction, show minimal impurities. This new approach to isolate the Mg 11 Cu 6 Al 12 phase can unlock its use in fundamental research and can be applied to other difficult-to-synthesize intermetallic compounds.
36 MATERIALS SCIENCE↗
Accelerated Exploration of Empty Material Compositional Space: Mg–Fe–B Ternary Metal Borides
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Zhang, Zhen↗
Interstellar fossil Mg-26 and its possible relationship to excess meteoritic Mg-26
A plausible scenario is advanced for explainig a linear correlation found in some solar system solids between their Mg-26/Mg-24 isotopic ratios and their Al/Mg elemental abundance ratios. This scenario involves three stages: (1) the mechanical aggregation of an average ensemble of Al-bearing dust particles that is postulated to be modestly enriched in the Al/Mg abundance ratio because the aggregated particles themselves are; (2) the extraction, perhaps but not necessarily by hot distillation, of almost all Mg, leaving an aggregate with a large Al/Mg ratio and a large Mg-26 excess; and (3) the uptake of normal ambient Mg by the resulting hot Al-rich solid as it cools in Mg-rich vapor. A linear correlation in solids between their Mg-26/Mg-24 isotopic ratio and their aluminum enrichment may be a fossil correlation inherited from interstellar dust.
Clayton, Donald D.↗
Stable Cycling of Mg Metal Anodes by Regulating the Reactivity of Mg 2+ Solvation Species
Rationally designing stable nonaqueous electrolytes for Mg metal anodes demands a thorough understanding of their interfacial behaviors. Here, the critical role of cation–anion pairing in improving the cathodic stabilities of amine-based electrolytes against solvent reduction and H 2 evolution is identified. It is demonstrated that strong coordination between solvating amine groups and the Mg 2+ cation facilitates the dehydrogenation of the -NH 2 group, which is mainly responsible for low reversibility during Mg metal plating and stripping. Introducing ion-pairing into the primary solvation shell can effectively weaken the amine coordination such that its reduction is suppressed. A novel interfacial behavior regarding parasitic reaction product dissolution is also identified, which is responsible for the failure of interfacial passivation. An ion-pairing electrolyte is developed based on a weakly-solvated amine molecule and strongly coordinating Mg 2+ salt. This electrolyte composition delivers long-term Mg metal anode cycling with 99.6% Coulombic efficiency for 800 cycles.
25 ENERGY STORAGE↗
Fluorine-Free Ion-Selective Membrane with Enhanced Mg 2+ Transport for Mg-Organic Batteries
Magnesium batteries offer a safer alternative for next-generation battery technology due to their insusceptibility to dendrite deposition. Selective membranes tailored for magnesium-ion conduction will unlock further technological advancement. Herein, we demonstrate fluorine-free magnesiated sulfonated poly(ether ether ketone) (Mg-SPEEK) selective membranes capable of facilitating magnesium-ion conduction while effectively rejecting soluble organic species. These membranes demonstrate a reversible Mg plating and stripping Coulombic efficiency (CE) of 85.4% and an ionic conductivity of 3.3 × 10 –4 S cm –1 at room temperature, surpassing those for a Mg-Nafion selective membrane. Theoretical density functional theory (DFT) calculations reveal that SPEEK possesses more localized charge centers along its backbone compared with Nafion, potentially facilitating enhanced ion conduction. Finally, full cells assembled with Mg-SPEEK coupled with the organic cathode pyrene-4,5,9,10-tetraone (PTO) and Mg metal demonstrated significantly improved capacity retention as compared to those assembled with conventional nonselective separators.
25 ENERGY STORAGE↗
An Na/TM-site Mg substituted P2-Na 2/3 [Fe 1/3 Mg 1/12 Mn 7/12 ]O 2 cathode with extremely high capacity for sodium-ion batteries
The anionic redox reaction (ARR) has become a hot topic in battery research due to its ability to provide high energy density. Nevertheless, there are still many issues in Na-based layered oxides with the ARR, such as large voltage hysteresis, lattice oxygen loss, irreversible structural changes, and cation migration in the TM layer, resulting in structural collapse and poor electrochemical performance. Herein, a series of Na 2/3 [Fe 1/3 Mg x Mn 2/3–x ]O 2 cathodes are synthesized using a traditional solid-state reaction method. The effectiveness of Mg substitution amounts and site occupancy in regulating the reversibility of the ARR has been explored using various experimental techniques. Surprisingly, the well-designed Na/TM-site Mg substituted P2-Na 2/3 [Fe 1/3 Mg 1/12 Mn 7/12 ]O 2 exhibits an extremely high initial reversible capacity of ~253.21 mA h g –1 , equivalent to ~0.94 e – transfer, which is contributed by both cationic and anionic redox reactions as confirmed by hard X-ray absorption spectroscopy (hXAS) and soft X-ray absorption spectroscopy (sXAS) analyses. In addition, the improved cycling and high-rate performance of the P2-Na 2/3 [Fe 1/3 Mg 1/12 Mn 7/12 ]O 2 are achieved by a well-maintained crystal structure and the highly reversible anionic redox reaction of O 2– /O n– . Finally, these in-depth studies provide crucial knowledge for the development and understanding of cathode materials with a highly reversible ARR for low-cost and high-energy sodium-ion batteries.
36 MATERIALS SCIENCE↗
Observations of Local Interstellar Mg I and Mg II
Copernicus and IUE observations of 5 stars within 50 pc of the Sun were combined to study the ionization of magnesium in the local interstellar medium (LISM). The high resolution Copernicus spectrometer was used to detect interstellar MG I 2852 in the spectra of alpha Gru, alpha Eri, and alpha Lyr, while placing upper limits on Mg I in the spectra of alpha CMa and alpha PsA. Observations of Mg II 2795, 2802 for these stars were also obtained with IUE and Copernicus. The column densities of Mg I and Mg II are used to place constraints on the temperature of the LISM.
Bruhweiler, F. C.↗
Apollo 15 Mg- and Fe-norites - A redefinition of the Mg-suite differentiation trend
The Apollo 15 highland rocks from the Apennine Front include clasts of mafic plutonic rocks from deep in the lunar crust that were brought to the surface by the Imbrium and Serenitatis impacts. The Apollo 15 norites exhibit wide variations in mineral and bulk compositions and include Fe-norites that plot between the three major pristine rock fields on a diagram of Mg' in mafic minerals vs An in paglioclase. Based on assemblages and compositions of minerals, and on ratios of elemental abundances, it is concluded that these Apollo 15 Fe-norites are differentiated members of the Mg-norite suite. The Apollo 15 and 17 norites and troctolites form a closely related suite of rocks, whose variations in mineral compositions represent the main differentiation trend of the Mg-suite. This trend in mineral compositions has a steeper slope than the previous Mg-suite field. The parent magmas for these Mg-suite rocks formed by partial melting deep in the lunar mantle. Differentiation by fractional crystallization may also have included assimilation of crustal components as the magmas rose from the mantle and crystallized plutons in the lower crust.
Lindstrom, M. M.↗
Toward practical issues: Identification and mitigation of the impurity effect in glyme solvents on the reversibility of Mg plating/stripping in Mg batteries
Reversible electrochemical magnesium plating/stripping processes are important for the development of high-energy-density Mg batteries based on Mg anodes. Ether glyme solutions such as monoglyme (G1), diglyme (G2), and triglyme (G3) with the MgTFSI 2 salt are one of the conventional and commonly used electrolytes that can obtain the reversible behavior of Mg electrodes. However, the electrolyte cathodic efficiency is argued to be limited due to the enormous parasitic reductive decomposition and passivation, which is governed by impurities. In this work, a systematic identification of the impurities in these systems and their effect on the Mg deposition–dissolution processes is reported. The mitigation methods generally used for eliminating impurities are evaluated, and their beneficial effects on the improved reactivity are also discussed. By comparing the performances, we proposed a necessary conditioning protocol that can be easy to handle and much safer toward the practical application of MgTFSI 2 /glyme electrolytes containing impurities.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Production of Mg and Al Auger electrons by noble gas ion bombardment of Mg and Al surfaces
Relative production efficiencies of Mg and Al Auger electrons by He, Ne, Ar, Kr, and Xe ion bombardment are reported as a function of ion energy for energies not exceeding 3 keV. The experimental apparatus employed consisted of a LEED-Auger system equipped with an ion gun and a four-grid retarding-potential analyzer. It is found that: (1) the shape of the ion-excited Auger signal was independent of the rare gas and quite symmetric; (2) the Al signal was about an order of magnitude smaller than the Mg signal for a given bombarding species and ion-gun voltage; (3) no signal was observed for He(+) bombardment under any of the experimental conditions; (4) signal strengths were independent of temperature and ion dose; (5) the Auger production efficiencies differed by no more than a factor of two among the different gases - except for He(+) - on a given metal; (6) all the signal strengths increased with increasing ion-gun voltage, with no maximum exhibited; and (7) the apparent threshold energy for the Al signal was higher than that for the Mg signal. The differences between the results for the two metals are attributed to the fact that the Al 2p orbital lies deeper in energy and closer to the nucleus than the corresponding Mg orbital.
Ferrante, J.↗