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ChemInform Abstract: Stability of B12(CN)122‐: Implications for Lithium and Magnesium Ion Batteries. |
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| Authors: | Hongmin Zhao Jian Zhou Puru Jena |
| Abstract: | DFT calculations are used to calculate the binding energies of the second electron of the closo‐borane B12H122‐ and B12(CN)122‐. |
| Keywords: | theory structure boron B carbon C nitrogen N potentials cells elements electrodes (inorganic) general thermodynamics |