Anisotropic charge injection and transport in the cross stacking crystal of distyrylbenzene derivative and a possible new device structure

Anisotropic charge transport in organic materials is currently receiving increasing attention. Extraordinary anisotropic hole and electron transport with nearly balanced mobility are predicted computationally for the first time in the cross stacking crystal of trans-2,5-diphenyl-1,4-distyrylbenzene (trans-DPDSB). The hole and electron transports are along the crystallographic c and b axes, respectively. Based on the transport property, a possible novel device structure is proposed to perform the three-dimensional (3D) carrier recombination, which enables the tunable hole and electron injection from different crystal planes. Meanwhile, the hole and electron transport along their own independent transport channels with the largest mobility.