we have sandwiched a pentacene molecule between two gold electrodes thus making a FET configuration .

The nature of chemical bonding of a pentacene to gold is a van der Waals type.

We find a supercell that can hold pentacene crystal on the Au(111) surface.

we used  the gate dielectric material with oxide thickness equal to

5.5 A ° . HfO2 (er = 25)