Superionic Conductivity in theLi4C60Fulleride Polymer

Autor:	Daniele Pontiroli, Gábor Csányi, D. Quintavalle, András Jánossy, M. Riccò, M. Belli, Marcello Mazzani
Rok vydání:	2009
Předmět:	Materials science chemistry Ab initio quantum chemistry methods Interstitial defect Analytical chemistry General Physics and Astronomy Ionic conductivity Molecule Ionic bonding chemistry.chemical_element Lithium Conductivity Ion
Zdroj:	Physical Review Letters. 102
ISSN:	1079-7114 0031-9007
Popis:	We report on the extraordinary superionic conductivity in the fulleride polymer Li4C60, a crystalline material with no disorder. 7Li, NMR, and dc frequency dependent conductivity show uncorrelated ionic hopping across small energy barriers (DeltaE_{a} approximately 200 meV) and an ionic conductivity of 10;{-2} S/cm at room temperature, higher than in "standard" ionic conductors. Ab initio calculations of the molecular structure find intrinsic unoccupied interstitial sites that can be filled by Li+ cations in stoichiometric Li4C60 even at low temperatures. The low energy required for the occupation of these sites allows a sizable Li+ diffusion above 130 K. The results suggest novel application of lithium intercalated fullerides as electrodes in Li ions batteries.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::528a15f09d6a1e6685ef94c12f3cfb35 https://doi.org/10.1103/physrevlett.102.145901 Zobrazit plný text záznamu