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Electrochemical Formation of Li-M-(M')-Si Phases Using Multivalent Electrolyte Salt Additives

Lithium-rich silicides (Li 15 Si 4 ), formed during the electrochemical lithiation of silicon, show high reactivity with electrolyte components that contribute to capacity decay, formal lithium loss, and low coulombic efficiency. Recently, the reactivity of lithium silicides was found to be suppressed by substituting a multivalent cation (i.e. Mg, Ca) for lithium that results in the room temperature formation of a ternary Li-M-Si phase. In this study, we explored a range of multivalent electrolyte salt additives (M = Ni, Cu, La, Ce, Sr, Ba, and Ca-Mg mixed salt) in a lithium-ion cell configuration and identified a room temperature electrochemical route to the formation of new ternary and quaternary lithium silicides. Using this method, both nickel and copper salts were found to plate onto the silicon electrode surface upon lithiation. Further, based on refined synchrotron XRD data, multivalent cations with an ionic radius similar to Na (~1.03 Å) or smaller can be inserted electrochemically into a formally cation-deficient Li 15 Si 4 host lattice to form new ternary (or quartenary) phases. The electrochemical synthesis of a new quaternary Li-M-M’-Si phase represents a facile route to preparing and scaling materials isostructural to the Heusler phase and electron-precise Li 14 MgSi 4 phase that results in enhanced cycling and calendar life performance.

25 ENERGY STORAGE↗

Precipitation of low-temperature disordered dolomite induced by extracellular polymeric substances of methanogenic Archaea Methanosarcina barkeri : Implications for sedimentary dolomite formation

Abstract A correlation between methanogenesis and dolomite formation has been reported; however, the mechanism underlying this association is not fully understood. In this study, we conducted forced carbonate precipitation experiments at room temperature in calcite-seeded Ca/Mg carbonate solutions containing either purified non-living biomass or bound extracellular polymeric substances (EPS) of the methanogen Methanosarcina barkeri. Purified non-living biomass and bound EPS was used so as to avoid the possible influence of the complex components of the growing microbial culture on carbonate crystallization. Our results demonstrated that non-living biomass of M. Barkeri can enhance the Mg incorporation into calcitic structure and induce the crystallization of disordered dolomite. In the presence of ~113 mg L–1 of non-living biomass, disordered dolomite with ~41 and 45 mol% of MgCO3 was precipitated in solutions with initial Mg:Ca ratios of 5:1 and 8:1, respectively. A systematic increase in the MgCO3 contents of the precipitated Ca-Mg carbonates was also observed with the increased non-living biomass concentration. Bound EPS was shown to be the component of non-living biomass that catalyzed the precipitation of disordered dolomite. At only ~25 mg L–1 of bound EPS, disordered dolomite with ~47 and 48 mol% of MgCO3 was precipitated in solutions with initial Mg:Ca ratios of 5:1 and 8:1, respectively. We propose that adsorption of bound EPS to growing carbonate surfaces through hydrogen bonding is the key to catalyzing disordered dolomite crystallization, and that this mechanism is also applicable to natural EPS-induced dolomite formation. This study provides significant insight into the formation mechanism of microbial-induced dolomite with high δ13C values.

Geochemistry & Geophysics↗

Materials Data on CaMg2 by Materials Project

Mg2Ca is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ca and twelve Mg atoms. There are one shorter (3.76 Å) and three longer (3.82 Å) Ca–Ca bond lengths. There are a spread of Ca–Mg bond distances ranging from 3.60–3.67 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Ca and six equivalent Mg atoms to form a mixture of corner, edge, and face-sharing MgCa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. In the second Mg site, Mg is bonded to six equivalent Ca and six Mg atoms to form a mixture of corner, edge, and face-sharing MgCa6Mg6 cuboctahedra. There are two shorter (3.09 Å) and two longer (3.17 Å) Mg–Mg bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Ca2Mg by Materials Project

Ca2Mg crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 3-coordinate geometry to three equivalent Mg atoms. There are a spread of Ca–Mg bond distances ranging from 3.43–3.57 Å. Mg is bonded in a 6-coordinate geometry to six equivalent Ca atoms.

36 MATERIALS SCIENCE↗

Materials Data on CaMg2 by Materials Project

Mg2Ca is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to two equivalent Ca and ten equivalent Mg atoms. Both Ca–Ca bond lengths are 3.59 Å. There are a spread of Ca–Mg bond distances ranging from 3.33–3.69 Å. Mg is bonded in a 11-coordinate geometry to five equivalent Ca and six equivalent Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.21–3.32 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ca5Mg by Materials Project

Ca5Mg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to ten Ca and two equivalent Mg atoms to form distorted CaCa10Mg2 cuboctahedra that share corners with eighteen equivalent CaCa10Mg2 cuboctahedra, edges with four equivalent MgCa12 cuboctahedra, edges with fourteen CaCa10Mg2 cuboctahedra, faces with four equivalent MgCa12 cuboctahedra, and faces with sixteen CaCa10Mg2 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.66–3.83 Å. Both Ca–Mg bond lengths are 3.74 Å. In the second Ca site, Ca is bonded to nine Ca and three equivalent Mg atoms to form CaCa9Mg3 cuboctahedra that share corners with nine equivalent CaCa9Mg3 cuboctahedra, corners with nine equivalent MgCa12 cuboctahedra, edges with eighteen CaCa10Mg2 cuboctahedra, faces with three equivalent MgCa12 cuboctahedra, and faces with seventeen CaCa10Mg2 cuboctahedra. All Ca–Ca bond lengths are 3.77 Å. All Ca–Mg bond lengths are 3.77 Å. Mg is bonded to twelve Ca atoms to form MgCa12 cuboctahedra that share corners with eighteen equivalent CaCa9Mg3 cuboctahedra, edges with six equivalent MgCa12 cuboctahedra, edges with twelve equivalent CaCa10Mg2 cuboctahedra, faces with two equivalent MgCa12 cuboctahedra, and faces with eighteen CaCa10Mg2 cuboctahedra.

36 MATERIALS SCIENCE↗