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Density Functional Theory of PTCDA Adsorption on Si(111)In-8×8 at Room Temperature
Density Functional Theory of PTCDA Adsorption on Si(111)In-8×8 at Room Temperature
Challenge 애게서 업로드 하였습니다. 17. 8. 8 오후 2:04 경진대회: 나노물리 나노물리 » 3회 경진대회
버전 1.0
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-8×8 at room temperature using the density functional theory calculations.
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