The performance of 2,5-dimethoxy-1,4-benzoquinone (DMBQ) as an active material for rechargeable lithium batteries was investigated. A positive-electrode that incorporated DMBQ showed an initial discharge capacity of 312 mAh g(-1) with an average voltage of 2.6V vs. Li+/Li. This discharge capacity corresponds to a benzoquinone-based two-electron redox behavior, and is more than twice that of the conventional positive-electrode material lithium cobalt oxide (LiCoO2). Furthermore, the positive-electrode with DMBQ showed fair cycle-life performance. Theoretical quantum calculations based on the density functional theory (DFT) were also performed to clarify the mechanism of the electrochemical properties of the solid state of DMBQ. (c) 2010 Elsevier B.V. All rights reserved.