5,7,12,14-Pentacenetetrone as a High-Capacity Organic Positive-Electrode Material for Use in Rechargeable Lithium Batteries

摘要

The performance of 5,7,12,14-pentacenetetrone (PT) as an organic active material for rechargeablelithium batteries was investigated. A positive-electrode incorporating PT showed an initial discharge+ capacity of more than 300 mAh/g(PT) with an average voltage of 2.1 V vs. Li /Li. The obtaineddischarge capacity corresponded to a four-electron redox behavior and is more than twice that of aconventional positive-electrode material, lithium cobalt oxide (LiCoO2). A quantum calculation basedon the density functional theory (DFT) was also performed to clarify the mechanism of the electron- transfer in the PT crystal.