Journal Article10.1039/d2cp05583j
Divalent closo-monocarborane solvates for solid-state ionic conductors.
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TL;DR: In this paper , the synthesis and characterisation of divalent hydrated closo-monocarborane (CMC) complexes with solid-state electrolytes is presented, where the coordination of a solvent to the cation in these complexes shows a significant improvement in ionic conductivity.
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Abstract: Li-ion batteries have held the dominant position in battery research for the last 30+ years. However, due to inadequate resources and the cost of necessary elements (e.g., lithium ore) in addition to safety issues concerning the components and construction, it has become more important to look at alternative technologies. Multivalent metal batteries with solid-state electrolytes are a potential option for future battery applications. The synthesis and characterisation of divalent hydrated closo-monocarborane salts - Mg[CB11H12]2·xH2O, Ca[CB11H12]2·xH2O, and Zn[CB11H12]2·xH2O - have shown potential as solid-state electrolytes. The coordination of a solvent (e.g. H2O) to the cation in these complexes shows a significant improvement in ionic conductivity, i.e. for Zn[CB11H12]2·xH2O dried at 100 °C (10-3 S cm-1 at 170 °C) and dried at 150 °C (10-5 S cm-1 at 170 °C). Solvent choice also proved important with the ionic conductivity of Mg[CB11H12]2·3en (en = ethylenediamine) being higher than that of Mg[CB11H12]2·3.1H2O (2.6 × 10-5 S cm-1 and 1.7 × 10-8 S cm-1 at 100 °C, respectively), however, the oxidative stability was lower (<1 V (Mg2+/Mg) and 1.9 V (Mg2+/Mg), respectively). Thermal characterisation of the divalent closo-monocarborane salts showed melting and desolvation, prior to high temperature decomposition.
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Citations
Explore the Ionic Conductivity Trends on B12H12 Divalent Closo-Type Complex Hydride Electrolytes
Egon Campos dos Santos,Ryuhei Sato,Kazuaki Kisu,Kartik Sau,Xue Jia,Fan Yang,Shin Ichi Orimo,Hao Li +7 more
TL;DR: Researchers developed a computational workflow to analyze cation diffusion in divalent closo-type complex hydride electrolytes, predicting stable crystal phases and diffusion activation energies comparable to experimental observations, and establishing structure-performance relationships for high-performance battery electrolytes.
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Two Layers of Computational Screening on Silaborane‐based Clusters Filter Ca(SiB11H11CH3)2 as the Promising Electrolyte for Calcium‐ion Batteries
Anson Thomas,Puneet Gupta +1 more
TL;DR: In this paper , a range of silaborane clusters (SiBn-1Hn¯; n = 5-15) were investigated using density functional theory at ωB97XD3/6-311+G(d,p) level of theory.
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Stannaborates: tuning the ion conductivity of dodecaborate salts with tin substitution.
Thomas Hales,Kasper T. Møller,Terry D. Humphries,Anita D'Angelo,Craig Buckley,Mark Paskevicius +5 more
TL;DR: Stannaborates exhibit high ion conductivity, comparable to LiCB11H12, at high temperatures. However, achieving high room-temperature ion conductivity remains a challenge.
Electrode materials for calcium batteries: Future directions and perspectives
TL;DR: Researchers explore calcium-based rechargeable batteries as a lithium alternative, highlighting the need for high-energy-density cathode materials and solid-state metathesis routes to unlock their potential and improve energy density, cost-effectiveness, and safety.
Sodium decahydrido-<i>closo</i>-1-carbadecaborate as a solid electrolyte: new insight into polymorphism and electrochemical performance
Therese S. S. Kjær,Jakob B. Grinderslev,Lasse N. Skov,Torben R. Jensen +3 more
TL;DR: NaCB 9 H 10 exhibits polymorphism and electrochemical performance as a solid electrolyte, offering new insights into its usability as a battery electrolyte at room temperature, with potential applications in solid-state batteries.
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