Li⁺ Diffusion and Its Structural Basis in the Nanocrystalline and Amorphous Forms of Two-Dimensionally Ion-Conducting Li_xTiS₂

Abstract

-012Li + Diffusion and Its Structural Basis in the Nanocrystalline and Amorphous Forms of Two-Dimensionally Ion-Conducting LixTiS 2 .-The Li diffusion in the nanocrystalline and amorphous forms of LixTiS 2 is compared by measuring the temperature and frequency dependencies of the spin-lattice relaxation rate of 7 Li. A schematic model for the ionic conduction process in two-dimensional nanocrystalline fast ionic conductors is proposed, introducing grain surface pathways as the dominant track for mobile ions.

Effect of ion irradiation on nanoscale TiS2systems with suppressed Titania phase

“…The Ti-S bonds are bonded covalently whereas the adjacent S-Ti-S layers are bonded through the weak Vander Waals forces. The properties like high conductivity as well as high lithium diffusion rates have made TiS2 to perform as a stable and high electrode material with long life cycle [5]. As, it may be noted, that TiS2 can also serve as an efficient catalysis for hydrogenation, and as a hydrogen storage material [6].…”

Electric field gradient calculations forLixTiS2and comparison withLiBredow1, Heitjans2, Wilkening3 2004Phys. Rev. BSelf Cite956870View full textAdd to dashboardCite

“…[5][6][7] Recently, also the lithium intercalation in open-ended TiS 2 nanotubes 8 and the Li dynamics in nanocrystalline h-Li x TiS 2 has been studied. [9][10][11] The Li/ TiS 2 system has attracted considerable attention from theorists. The structural, elastic, and electronic effects of lithium intercalation in h-TiS 2 were studied with periodic Hartree-Fock (HF) calculations.…”

“…The theoretical results are compared to experimental data from the literature and from our NMR measurements. Whereas a number of NMR studies focus on the Li dynamics in h-Li x TiS 2 , 4,[9][10][11][36][37][38][39] there are only few experimental NMR investigations available studying static properties. 36,[39][40][41] Since there exist discrepancies for experimental data of the quadrupole coupling constant, in particular for x Ͻ 1, between earlier measurements 36,39 and more recent investigations, 41 we have performed comple- The paper is organized as follows: In Sec.…”

A prediction-calculation method of studying on structures and properties of solid solutions

“…(2), for Li 2/3 TiS 2 crystal, E ion = 0.11 eV; for Ag 2/3 TiS 2 crystal, E ion = 0.33 eV. The experimental results [23] show that the ionic activation energy E ion of Li 2/3 TiS 2 crystal is 0.07 eV for amorphous, 0.16 eV for nanocrystal, and 0.19 eV for polycrystal, respectively. Recently, E ion = 0.4 eV for polycrystal Li 2/3 TiS 2 system is reported [7].…”