• Journal of the Korean Applied Science and Technology
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• v.22 no.3
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• pp.228-233
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• 2005

Langmuir-Blodgett(LB) technique can speak the best candidate of the future molecular electronic devices. But, precursor as molecular ultrathin film devices require the bulk property that are influenced by the molecular orientation. So, this device is one of current interest in molecular electronic device development of new materials. In this study, quantitative evaluation of molecular orientation in LB films of polyamic acid alkylamine salt was performed analysis experiment comparing the absorption or transmission intensity of the FT-IR spectrometer and reflection or absorption spectra with UV-visible absorption spectra. It could find that the polar angle(${\theta}$) of the dipole moment appears in about $68^{\circ}$ and the tilting angle of the alkyl chain is about $11.5^{\circ}$.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.32 no.12
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• pp.1047-1054
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• 2008

In this paper, the molecular dynamics (MD) simulations are performed with single-crystal copper blocks under simple shear and simple tension to investigate the effect of size and crystal orientation. There are many variances to give influences such as deformation path, temperature, specimen size and crystal orientation. Among them, the crystal orientation has a primary influence on the volume averaged stress. The numerical results show that the volume averaged shear stress decreases as the specimen size increases and as the crystal orientation changes from single to octal. Furthermore, the Schmid factor and yield stress for crystal orientation are evaluated by using the MD simulation on the standard triangle of stereographic projection.

• Applied Science and Convergence Technology
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• v.23 no.6
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• pp.351-356
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• 2014

The electronic structure at organic-organic interface gives essential information on device performance such as charge transport and mobility. Especially, the molecular orientation of organic material can affect the electronic structure at interface and ultimately the device performance in organic photovoltaics. The molecular orientation is examined by the change in ionization potential (IP) for metal phthalocyanines (MPc, M=Zn, Cu)/fullerene ($C_{60}$) interfaces on ITO by adding the CuI templating layer through ultraviolet photoelectron spectroscopy measurement. On CuPc/$C_{60}$ bilayer, the addition of CuI templating layer represents the noticeable change in IP, while it hardly affects the electronic structure of ZnPc/$C_{60}$ bilayer. The CuPc molecules on CuI represent relatively lying down orientation with intermolecular ${\pi}-{\pi}$ overlap being aligned in vertical direction. Consequently, in organic photovoltaics consisting of CuPc and $C_{60}$ as donor and acceptor, respectively, the carrier transport along the direction is enhanced by the insertion of CuI templaing layer. In addition, optical absorption in CuPc molecules is increased due to aligned transition matrix elements. Overall the lying down orientation of CuPc on CuI will improve photovoltaic efficiency.

• Applied Science and Convergence Technology
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• v.24 no.5
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• pp.151-155
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• 2015

The interfacial electronic structure between zinc phthalocyanine (ZnPc) and aluminumdoped zinc oxide (AZO) substrates has been evaluated by ultraviolet photoemission spectroscopy and angle-dependent x-ray absorption spectroscopy to understanding the molecular orientation of a ZnPc layer on the performance of small molecule organic photovoltaics (OPVs). We find that the ZnPc tilt angle improves the ${\pi}-{\pi}$ interaction on the AZO substrate, thus leading to an improved short-circuit current in OPVs based on phthalocyanine. Furthermore, the molecular orientation-dependent energy level alignment has been analyzed in detail using ultraviolet photoemission spectroscopy. We also obtained complete energy level diagrams of ZnPc/AZO and ZnPc/indium thin oxide.

• Bulletin of the Korean Chemical Society
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• v.30 no.9
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• pp.2087-2092
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• 2009

We performed molecular dynamics simulations on dimyristoylphosphatidylcholine lipid bilayer with 50 mol% halothane. The structural properties, electron density profile, segmental order parameter of acyl chains, headgroup orientation distribution, water dipole orientation distribution, have been examined. Overall the effects of the halothane molecules on structural properties of DMPC lipid bilayer were found to be small. The electron density profiles, the segmental order parameter, the headgroup orientation, the water dipole orientation were not affected significantly by the halothane molecules. Pressure tensor calculations shows that the lateral pressure increases at the hydrocarbon tail region and the headgroup region, and decreases at the water-headgroup interfacial region.

• Proceedings of the Korean Institute of Navigation and Port Research Conference
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• 2000.11a
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• pp.53.1-56
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• 2000

Langmuir-Blodgett(LB) technique is the best candidate for the future molecular electronic devices. But, these molecular thin film devices require the bulk properties that are influenced by the molecular orientations. So, this is of current interest in molecular electronic device fabrications of new materials. In this study, quantitative evaluation of molecular orientation in LB films of PAAS was performed by comparing the absorption intensities of the FT-IR transmission and reflection-absorption spectra and the polarized UV/visible absorption spectra. It was found that the polar angle($\theta$) of the dipole moment is about 68$^{\circ}$and the tilting angle of the alkyl chain is about $11.5^{\circ}$ .

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2000.11a
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• pp.53-56
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• 2000

Langmuir-Blodgett(LB) technique is the best candidate for the future molecular electronic devices. But, these molecular thin film devices require the bulk properties that are influenced by the molecular orientations. So, this is of current interest in molecular electronic device fabrications of new materials. In this study, quantitative evaluation of molecular orientation in LB films of PAAS was performed by comparing the absorption intensities of the FT-IR transmission and reflection-absorption spectra and the polarized UV/visible absorption spectra. It was found that the polar angle( $\theta$ ) of the dipole moment is about 68$^{\circ}$ and the tilting angle of the alkyl chain is about 11.5$^{\circ}$

• 한국정보디스플레이학회:학술대회논문집
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• 2004.08a
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• pp.1169-1172
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• 2004

Polyimides are blended with photoreactive polymers in order to improve the thermal stability of molecular orientation of photoreactive groups induced by polarized UV irradiation. The polyimide/photopolymer blends can be applied for the photo-induced liquid crystal alignment layers. However, the polyimides are also decomposed by UV irradiation and this may have the negative effect on the orientation of liquid crystals. In order to elucidate the influence of polyimide on the molecular orientation of liquid crystal, non-photoreactive naphthalenic polyimide (1,4,5,8-naphthalene tetracarboxylic dianhydride} was selected for the blend alignment layers. We prepared the blends of photo-reactive coumarin polymers and naphthalenic polyimide, and investigated the orientation of liquid crystals. Thermal stability of the orientation of liquid crystals was enhanced due to the thermally stable polyimide. However, there was no other side-effect of polyimide on the orientation of liquid crystals and this might be attributed to the non-photo-reactivity of naphtahlenic polyimide.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.11 no.4
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• pp.306-313
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• 1998

To elucidate the liquid crystal(LC) molecules alignment mechanism, it is important to determine the molecular orientation of the rubbed polymer surface molecules that directly contact with LC molecules. In this work, the molecular orientation on a rubbed surface of polyimide (SE-3310, Nissan) film has been studied by polarized FTIR absorption spectroscopy. It has been found that molecular chain on the rubbed surface of polymide film are oriented along the rubbing direction and are tilted up on an average by 5.0$^{\circ}$. In the SHG(Second Harmonic Generation) measurement, the pretilt angle of molecular chain on the poylmide fim was 4.6$^{\circ}$ fro, the surface plane. And the pedit angle of liquid crystal (ZLI-2293, Merck) molecules measured by crystal rotation method was 5.4$^{\circ}$in the same rubbing condition.

• BMB Reports
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• v.38 no.2
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• pp.161-166
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• 2005

Functional protein of MB78 bacteriophage having apparent molecular weight of 22 kDa is expressed from 1.7 kb HindIII G fragment. The nucleotide sequence of this fragment showed two open reading frames of 222 and 196 codons in tail-to-tail orientation separated by a 62-nucleotide intercistronic region. The ORF of 22 kDa protein is present in opposite orientation, i.e. in the complementary strand, preceded by a strong ribosomal binding site and a promoter sequence. Another ORF started from the beginning of the fragment whose promoter region and translational start site lies in the 0.45 kb HincII U fragment which is located next to the HindIII G fragment, that has the sequence for DNA bending. 3' end of the fragment has high sequence homology to the EaA and EaI proteins of bacteriophage P22, a close relative of MB78 phage.