1 research outputs found
The Power of Packing: Metallization of an Organic Semiconductor
Benzoquino-bis-1,2,3-dithiazole <b>5</b> is a closed shell,
antiaromatic 16Ļ-electron zwitterion with a small HOMOāLUMO
gap. Its crystal structure consists of planar ribbon-like molecular
arrays packed into offset layers to generate a ābrick-wallā
motif with strong 2D interlayer electronic interactions. The spread
of the valence and conduction bands, coupled with the narrow HOMOāLUMO
gap, affords a small band gap semiconductor with Ļ<sub>RT</sub> = 1 Ć 10<sup>ā3</sup> S cm<sup>ā1</sup> and <i>E</i><sub>act</sub> = 0.14 eV for transport within the brick-wall
arrays. Closure of the band gap to form an all-organic molecular metal
with Ļ<sub>RT</sub> > 10<sup>1</sup> S cm<sup>ā1</sup> can be achieved by the application of pressure to 8 GPa