First-principles investigations on 1D TiS2(en) are performed to evaluate its potential as an electrode for lithium ion batteries. The intercalation of lithium ions into LixTiS(2)(en) follows the Rudorff model and the lithium ions are predicted to diffuse along the one-dimensional axis of the TiS2(en) nanostructure with a small diffusion barrier of 0.27 eV.
關聯:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 卷冊: 22 期: 22 頁數: 12389-12394
