Ultrahigh energy density Li-ion batteries based on cathodes of 1D metals with -Li-N-B-N- repeating units in α-Li(x)BN₂ (1 ⩽ x ⩽ 3).

@article{Nmeth2014UltrahighED,
  title={Ultrahigh energy density Li-ion batteries based on cathodes of 1D metals with -Li-N-B-N- repeating units in $\alpha$-Li(x)BN₂ (1 ⩽ x ⩽ 3).},
  author={K{\'a}roly N{\'e}meth},
  journal={The Journal of chemical physics},
  year={2014},
  volume={141 5},
  pages={
          054711
        }
}
  • K. Németh
  • Published 1 April 2014
  • Materials Science, Physics, Medicine, Chemistry
  • The Journal of chemical physics
Ultrahigh energy density batteries based on α-Li(x)BN2 (1 ⩽ x ⩽ 3) positive electrode materials are predicted using density functional theory calculations. The utilization of the reversible LiBN2 + 2 Li(+) + 2 e(-) ⇌ Li3BN2 electrochemical cell reaction leads to a voltage of 3.62 V (vs Li/Li(+)), theoretical energy densities of 3251 Wh/kg and 5927 Wh/l, with capacities of 899 mAh/g and 1638 mAh/cm(3), while the cell volume of α-Li3BN2 shrinks only 2.8% per two-electron transfer on charge. These… Expand
8 Citations
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  • K. Németh
  • Physics, Materials Science
  • Nanotechnology
  • 2020
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  • K. Németh
  • Materials Science, Physics
  • Theoretical Chemistry Accounts
  • 2018
Covalent functionalization is a way to tune the electrochemical properties of hexagonal boron nitride (h-BN) monolayers. The wide bandgap insulator h-BN may become metallic conductor uponExpand
Metallic and semiconducting 1D conjugated polymers based on –S–C$$\equiv $$≡C– repeating units in poly(sulfur acetylide)
The existence and the properties of a new 1D conjugated polymer, poly(sulfur acetylide), with –S–C$$\equiv $$≡C– repeating unit are predicted on the basis of density functional theory calculations.Expand
The [BN2]3− anion – a carbon dioxide isosteric building unit for a large family of complex nitridoborate structures
Abstract The crystal chemistry of nitridoborates with the CO2 analogous [BN2]3− ion is reviewed. Such nitridoborates form with the alkali and alkaline earth metals as well as with divalent europium.Expand

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