Density Functional Theory of PTCDA Adsorption on Si(111)In-8×8 at Room Temperature

  • 현정민 (숙명여자대학교 물리학과)
  • Published : 2014.03.21

Abstract

Self-assembly of the molecular system of perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA) is of such potential importance for organic semiconductor devices that PTCDA molecule on a variety of substrates has been extensively studied. Therefore we studied the density of states (DOS), the charge densities, and intermolacular bond lengths for PTCDA, and investigated PTCDA absorptioni sites on Si(111)In-$8{\times}8$ at room temperature using the density functional theory calculations.

Keywords