• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.475-477
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• 2014

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.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.08a
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• pp.142-142
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• 2012

다양한 In/Si (111) 표면에 PTCDA분자를 흡착하여 일어나는 현상에 대해 STM을 이용하여 실험하였다. PTCDA분자가 $\sqrt{31}{\times}\sqrt{31}$ 표면에서는 강한 표면-분자 상호작용 때문에 배열되지 않고 고립된 분자로 흡착되며 $\sqrt{7}{\times}\sqrt{3}$-hex표면에서는 표면-분자 상호작용이 약하여 분자와 분자 사이의 상호작용으로 수소결합을 통한 2차원 herringbone 구조를 형성한다. 하지만 $4{\times}1$ 표면에서는 수소결합 없이 준 1차원 배열을 형성하며 지금까지 연구된 다른 모든 표면에서 수소결합에 의하여 분자배열을 이루는 것과 대조된다. 이는 $4{\times}1$ 표면에서 표면-분자 사이의 상호작용에 의해 분자배열이 결정되기 때문이다. 또한, Si (111)$-7{\times}7$면 위에 서로 다른 덮힘양의 In 원자를 포함하는$\sqrt{3}{\times}\sqrt{3}$, $2{\times}2$, 그리고 $\sqrt{7}{\times}\sqrt{3}$-hex상이 같이 있는 표면에 PTCDA분자를 흡착할 경우, PTCDA분자의 흡착이 In층 안에서 In 원자를 이동시키면서 국소적으로 in의 덮힘양이 많은 상으로 변화시키는 것을 관찰하였다. PTCDA분자가 In원자를 이동시키는 이유는 상대적으로 약한 In층과의 결합보다는 더 강한 Si (111)표면과의 결합을 위한 것으로 해석된다.

• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.221-223
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• 2013

Self-assembly of the molecular system of perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA) and the amide analogue (PTCDI) is of potential importance for organic semiconductor devices. Therefore we studied the density of states (DOS), the charge densities, and intermolacular bond lengths for PTCDA and PTCDI using the density functional theory calculations.

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2247-2254
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• 2010

The surface structures of copper phthalocyanine (CuPc) thin films deposited on sulphur-passivated and plane perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA)-covered InAs(100) surfaces have been studied by low energy electron diffraction (LEED) and van der Waals (vdW) intermolecular interaction energy calculations. The annealing to $300^{\circ}C$ and $450^{\circ}C$ of $(NH_4)_2S_x$-treated InAs(100) substrates produces a ($1{\times}1$) and ($2{\times}1$) S-passivated surface respectively. The CuPc deposition onto the PTCDA-covered InAs(100) surface leads to a ring-like diffraction pattern, indicating that the 2D ordered overlayer exists and the structure is dominantly determined by the intermolecular interactions rather than substrate-molecule interactions. However, no ordered LEED patterns were observed for the CuPc on S-passivated InAs(100) surface. The intermolecular interaction energy calculations have been carried out to rationalise this structural difference. In the case of CuPc unit cells on PTCDA layer, the planar layered CuPc structure is more stable than the $\alpha$-herringbone structure, consistent with the experimental LEED results. For CuPc unit cells on a S-($1{\times}1$) layer, however, the $\alpha$-herringbone structure is more stable than the planar layered structure, consistent with the absence of diffraction pattern. The results show that the lattice structure during the initial stages of thin film growth is influenced strongly by the intermolecular interactions at the interface.

• Polymer(Korea)
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• v.30 no.3
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• pp.253-258
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• 2006

We have fabricated vortical type organic thin film transistors (OTFTs) consisting of ITO/n type active material/Al gate/n type active material/Al using F16CuPc, NTCDA, PTCDA and PTCDI C-8. The effect of mobility of n type active materials and thin film thickness on current-voltage (I-V) characteristics and on/off ratios were investigated. The vortical type organic transistor using PTCDI C-8 exhibited low operation voltage and high on-off ratio. In addition, we have investigated the feasibility of application in organic light emitting transistor using light emitting polymer. Especially, the light emitting transistor consisting of ITO/PEDOT-PSS/P3HT/F16CuPc/Al gate/F16CuPc/Al showed the maximum quantum efficiency of 0.054.