• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.107-107
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• 2012

본 연구에서는 GaAs p-i-n 태양전지구조에 InAs 양자점을 삽입하여 계면의 전기장 변화를 Photoreflectance (PR) 방법으로 연구하였다. InAs/GaAs 양자점 태양전지구조는 n-GaAs 기판위에 p-i-n 구조의 태양전지를 분자선박막성장 장치를 이용하여 제작하였다. GaAs p-i-n 태양전지와 p-QD(i)-n 양자점 태양전지를 제작하여 계면전기장의 변화를 PR 신호에 나타난 Franz-Keldysh oscillation (FKO)으로부터 측정하였다. 기본적인 p-i-n 구조에서 두 가지 전기장성분을 검출 하였고 양자점 태양전지구조에서는 39 kV/cm 이상의 내부전기장이 존재함을 관측하였다. 이러한 내부전기장은 양자점 주변에 형성된 국소전기장의 효과로 추측하였다. 아울러 양자점을 AlGaAs 양자우물 구조에 삽입하여 케리어의 구속에 의한 FKO의 변화를 관측하였으며 양자점 태양전지의 구조적 변화에 따른 효율을 측정하여 비교 분석하였다.

• Applied Biological Chemistry
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• v.48 no.3
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• pp.252-257
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• 2005

Three-dimensional quantitative structure-activity relationships (3D-QSARs) for the herbicidal activities against pre-emergence barnyard grass (Echinochloa crus-galli) by new 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropion amide derivatives were studied quantitatively using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methodologies. The best CoMFA model (AI-2) and CoMSIA model (AII-4) were derived from an atom based fit alignment and a combination of CoMFA fields. The herbicidal activities from CoMFA and CoMSIA contour maps showed that the activity will be able to be increased according to the substituents variation on the N-phenyl ring.

• The Korean Journal of Pesticide Science
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• v.9 no.1
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• pp.26-34
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• 2005

3D-QSAR studies for the fungicidal activities against resistance phytophthora blight (RPC; 95CC7303) and sensitive phytophthora blight (Phytopthora capsici) (SPC; 95CC7105) by a series of new 2-alkoxyphenyl-3-phenylthioisoindoline-1-one derivatives (A & B) were studieded using comparative molecular similarity indices analyses (CoMSIA) methodology. From the based on the results, the two CoMSIA models, R5 and S1: as the best models were derivated. The statistical results of the models showed the best predictability and fitness for the fungicidal activities based on the cross- validated value ($q^2=0.714{\sim}0.823$) and non cross-validated, value ($r^2_{ncv.}=0.918{\sim}0.954$), respectively. The model R5 for fungicidal activity of RPC generated from the field fit alignment and combination of electrostatic field, H-bond acceptor field and LUMO molecular orbital field. The model S1 (or S5) for fungicidal activity of SPC generated from the atom based fit alignment and combination of steric field and HOMO molecular orbital field. The models also shows that inclusion of H-bond acceptor field (A) improved the statistical significance of the models. From the based graphical analyses of CoMSIA contribution maps, it was revealed that the novel selective character for fungicidal activities between the two fungi by modify of X-sub-stituent on the N-phenyl group and R-substituent on the S-phenyl group will be able to achivement.

• The Korean Journal of Pesticide Science
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• v.11 no.1
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• pp.8-17
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• 2007

Three-dimensional quantitative structure-activity relationships (3D-QSARs) on the fungicidal activity against damping-off (Pythium ultimum) with N-phenylbenzenesulfonamide and N-phenyl-2-thienylsulfonamide analogues (1-34) were studied quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indeces analysis) methodologies. On the whole, the statistical qualities of CoMSIA models with field fit alignment (FF1-FF5) were slightly higher than that of atom based fit alignment (AF1-AF5) but, the deviations of statistical quality between two alignments in case of CoMFA models were slightly lower. The statistical results of CoMFA and CoMSIA model showed that the optimized CoMSIA model (FF1: $r_{cv.}^2\;(q^2)=0.674$ & $r_{ncv.}^2=0.964$) for damping-off is better predictability and fitness for fungicidal activities than CoMFA model (AF5: $r_{cv.}^2\;(q^2)=0.616$ & $r_{ncv.}^2=0.930$). The fungicidal activities according to the information of the CoMSIA (FF1) model were dependence upon the electrostatic and hydrophobic field of the N-phenylbenzene sulfonamide analogues. Therefore, from the results of graphical analyses on the contour maps with CoMSIA (FF3) model, it is expected that the characters of R4-substituent on the N-phenyl ring as hydrophobic and hydrogen bond acceptor will be contributed to the fungicidal activity against damping-off.

• Applied Biological Chemistry
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• v.48 no.1
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• pp.82-88
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• 2005

3D QSAR studies for the fungicidal activities against resistive phytophthora blight (RPC; 95CC7303) and sensitive phytophthora blight (Phytopthora capsici) (SPC; 95CC7105) by a series of new 2-alkoxyphenyl-3-phenylthioisoindoline-1-one derivatives (X: A=propynyl & B=2-chloropropenyl) were studied using comparative molecular field analyses (CoMFA) methodology. The CoMFA models were generated from the two different alignment, atom based fit (AF) alignment and field fit (FF) alignment. The atom based alignment exhibited a higher statistical results than that of field fit alignment. The best models, A3 and A7 using combination fields of H-bond field, standard field, LUMO and HOMO molecular orbital field as additional descriptors were selected to improve the statistic of the present CoMFA models. The statistical results of the two models showed the best predictability of the fungicidal activities based on the cross-validated value $q^2\;(r^2_{cv.}=RPC:\;0.625\;&\;SPC:\;0.834)$, non cross-validated value $(r^2_{ncv.}=RPC:\;0.894\;&\;SPC:\;0.915)$ and PRESS value (RPC: 0.105 & SPC: 0.103), respectively. Based on the findings, the predictive ability and fitness of the model for SPC was better than that of the model for RPC. The fugicidal activities exhibited a strong correlation with steric $(66.8{\sim}82.8%)$, electrostatic $(10.3{\sim}4.6%)$ and molecular orbital field (SPC: HOMO, 12.6% and RPC: LUMO, 22.9%) factors of the molecules. The novel selective character for fungicidal activity between two fungi depend on the positive charge of ortho, meta-positions on the N-phenyl ring and size of hydrophilicity of a substituents on the S-phenyl ring.

• Proceedings of the Korean Vacuum Society Conference
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• 2015.08a
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• pp.194.2-194.2
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• 2015

본 논문에서는 InP 기판에 자발형성법 (Self-assembled Mode)으로 성장한 InAs/InAlGaAs 양자점(Quantum Dots)의 외부 열처리 온도에 따른 광학적 특성을 논의한다. 분자선증착기 (Molecular Beam Epitaxy, VH80MBE)로 5주기 적층구조를 갖는 InAs/InAlGaAs 양자점 시료 (기준시료)를 성장 후 온도 의존성 및 여기광세기 의존성 포토루미네슨스 (photoluminescence, PL) 분광법으로 기본특성을 평가하였다. 양자점 시료를 $500{\sim}800^{\circ}C$에서 열처리를 수행하고 광학적 특성을 열처리 전과 비교하여 분석하였다. $550^{\circ}C$에서 열처리한 InAs/InAlGaAs 양자점 시료의 저온 (11K) PL 파장은 1465 nm를 보였으며, 이는 열처리를 하지 않은 기준시료의 1452 nm 보다 13 nm 장파장으로 이동하였다. 열처리 온도가 $700^{\circ}C$ 이상인 경우, 양자점 PL 파장이 다시 단파장으로 이동하는 현상을 보였지만 여전히 열처리하지 않은 기준시료보다 장파장을 나타내었다. $700^{\circ}C$에서 열처리한 양자점 시료의 저온 PL 광세기는 기준시료보다 15.5배 더 크게 나타났으며, 주변 온도가 증가할수록 더디게 감소하는 것을 확인할 수 있었다. 온도의존성 PL로부터 구한 활성화에너지 (Activation Energy)는 $700^{\circ}C$ 열처리 온도의 경우 175.9 meV를 나타내었다. InAs/InAlGaAs 양자점 시료의 열처리 온도에 따른 광특성 변화를 InAs 양자점과 InAlGaAs 장벽층 계면에서 III족 원소인 In, Al 및 Ga의 상호확산과 결함이 완화되는 현상으로 해석할 수 있다.

• Applied Biological Chemistry
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• v.47 no.4
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• pp.414-421
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• 2004

3D QSAR studies for protox inhibition activities against root and shoot of the rice plant (Orysa sativa L.) and barnyardgrass (Echinochloa crus-galli) by a series of new 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene derivatives were conducted based on the results (Sung, N. D. et al.'s, (2004) J. Korean Soc. Appl. Biol. Chem. 47(3), 351-356) using comparative molecular similarity indices analysis (CoMSIA) methodology. Four CoMSIA models, without hydrogen bond donor field for the protox inhibition activities against root and shoot of the two plants, were derived from the combination of several fields using steric field, hydrophobic field, hydrogen bond acceptor field, LUMO molecular orbital field, dipole moment (DM) and molar refractivity (MR) as additional descriptors. The predictabilities and fitness of CoMSIA models for protox inhibition activities against barnyard-grass were higher than that of rice plant. The statistical results of these models showed the best predictability of the protox inhibition activities against barnyard-grass based on the cross-validated value $r^2\;_{cv}\;(q^2=0.635{\sim}0.924)$, non cross-validated, conventional coefficient $r^2\;_{ncv.}$ value $(r^2=0.928{\sim}0.977)$ and PRESS value $(0.255{\sim}0.273)$. The protox inhibition activities exhibited a strong correlation with the steric $(5.4{\sim}15.7%)$ and hydrophobic $(68.0{\sim}84.3%)$ factors of the molecules. Particularly, the CoMSIA models indicated that the groups of increasing steric bulk at ortho-position on the C-phenyl ring will enhance the protox inhibition activities against barnyard-grass and subsequently increase the selectivity.