ChemInform Abstract: Superhalogens as Building Blocks of Halogen-Free Electrolytes in Lithium-Ion Batteries. |
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| Authors: | Santanab Giri Swayamprabha Behera Puru Jena |
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| Institution: | Dep. Phys., Va. Commonw. Univ., Richmond, VA 23284, USA |
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| Abstract: | In the search for halogen-free electrolytes, the electronic structure of current electrolytes is studied via DFT-based first-principles calculations of the ground state geometries and total energies of anionic BF4-, PF6-, AsF6-, FePO4-, ClO4-, N(SO2F)2-, and N(SO2F3)2-. |
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| Keywords: | theory of the condensed state electrolytes electrolytic conductivity (inorganic) halogens |
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