• Rapid Communication in Photoscience
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• 제5권2호
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• pp.18-20
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• 2016

Through quantum chemical means, we inspect the energetics of the singlet oxygen formation with fluorescent proteins in their triplet excited states. By placing an oxygen molecule at varying distances, we discover that the energetic driving force for the singlet oxygen formation does not depend strongly on the chromophore $-O_2$ distance. We also observe that the chromophore vibrations contribute much to the energy gap modulation toward the surface crossing. Based on our computational results, we try to draw a series of rationalizations of different photostabilities of different fluorescent proteins. Most prominently, we argue that the chance of encountering a surface crossing point is higher with a protein with a lower photostability.

• Applied Science and Convergence Technology
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• 제24권5호
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• pp.167-171
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• 2015

Quantum-confined nanostructures open up additional perspectives in engineering materials with different electronic and optical properties. We have fabricated unique cation-exchanged CdS and CdS/CdSe quantum dots and measured their first four exciton transitions. We demonstrate that the relationship between electronic transitions and charge-carrier distributions is generalized for a broad range of core-shell nanostructures. These nanostructures can be used to further improve the performance in the fields of bio-imaging, light-emitting devices, photovoltaics, and quantum computing.

• Rapid Communication in Photoscience
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• 제5권1호
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• pp.8-10
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• 2016

The potential curves of OH bonds of liquid water are inhomogeneous because of a variety of interactions with other molecules and this leads to a wide distribution of vibrational frequency which hampers our understanding of the structure and dynamics of water molecules. Mixed quantum/classical (QM/CM) calculation methods are powerful theoretical techniques to help us analyze experimental data of various vibrational spectroscopies to study such inhomogeneous systems. In a type of those approaches, the interaction energy between OH bonds and other molecules is approximately represented by the interaction between the charges located at the appropriate interaction sites of water molecules. For this purpose, we re-calculated the values of charges by comparing the approximate interaction energies with quantum chemical interaction energies. We determined a set of charges at the TIP4P charge sites which better represents the quantum mechanical potential curve of OH bonds of liquid water.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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• pp.541-541
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• 2012

InP quantum dots capped by myristic acid (InP-MA QDs) were synthesized by a typical hot injection method using MA as stablizing agent. The current density across the InP-MA QDs thin film which was fabricated by spin-coating method is about $10^{-4}A/cm^2$ at the electric field of 0.1 MV/cm from I-V measurement on a metal-insulator-metal (MIM) device. The low conductivity of the InP-MA QDs thin film is interpreted as due to the long interdistances among the dots governed by the MA molecules. Therefore, replacing the MA with thioacetic acid (TAA) by biphasic ligand exchange was conducted in order to obtain TAA capped InP QDs (InP-TAA). InP-TAA QDs were designed due to: 1) the TAA is very short molecule; 2) the thiolate groups on the surface of the InP-TAA QDs are expected to undergo condensation reaction upon thermal annealing which connects the QDs within the QD thin film through a very short linker -S-; and 3) TAA provides better passivation to the QDs both in the solution and thin film states which minimizing the effect of surface trapping states.

• Bulletin of the Korean Chemical Society
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• 제35권2호
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• pp.457-465
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• 2014

Size-controlled lead sulfide (PbS) quantum dots were synthesized by the typical hot injection method using oleic acid (OA) as the stabilizing agent. Subsequently, the ligand exchange reaction between OA and thioacetic acid (TAA) was employed to obtain TAA-capped PbS quantum dots (PbS-TAA QDs). The condensation reaction of the TAA ligands on the surfaces of the QDs enhanced the conductivity of the PbS-TAA QDs thin films by about 2-4 orders of magnitude, as compared with that of the PbS-OA QDs thin films. The electron transport mechanism of the PbS-TAA QDs thin films was investigated by current-voltage (I-V) measurements at different temperatures in the range of 293 K-473 K. We found that the charge transport was due to sequential tunneling of charge carriers via the QDs, resulting in the thermally activated hopping process of Arrhenius behavior.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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• pp.420.1-420.1
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• 2016

Colloidal quantum dot (CQD) is emerging as a promising active material for next-generation solar cell applications because of its inexpensive and solution-processable characteristics as well as unique properties such as a tunable band-gap due to the quantum-size effect and multiple exciton generation. However, the most widely used spin-coating method for the formation of the quantum dot (QD) active layers is generally hard to be adopted for high productivity and large-area process. Instead, the spray-coating technique may potentially be utilized for high-throughput production of the CQD solar cells (CQDSCs) because it can be adapted to continuous process and large-area deposition on various substrates although the cell efficiency is still lower than that of the devices fabricated with spin-coating method. In this work, we observed that the subsequent treatment of two different ligands, halide ion and butanedithiol, on the lead sulfide (PbS) QD layer significantly enhanced the cell efficiency of the spray CQDSCs. The maximum power conversion efficiency was 5.3%, comparable to that of the spin-coating CQDSCs.

• Bulletin of the Korean Chemical Society
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• 제34권2호
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• pp.411-414
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• 2013

In order to enhance the photovoltaic property of the CdS/CdSe co-sensitized quantum dot sensitized solar cells (QDSSCs), the surface of nanoporous $TiO_2$ photoanode was modified by ultrathin $Al_2O_3$ layer before the deposition of quantum dots (QDs). The $Al_2O_3$ layer, dip-coated by 0.10 M Al precursor solution, exhibited the optimized performance in blocking the back-reaction of the photo-injected electrons from $TiO_2$ conduction band (CB) to polysulfide electrolyte. Transient photocurrent spectra revealed that the electron lifetime (${\tau}_e$) increased significantly by introducing the ultrathin $Al_2O_3$ layer on $TiO_2$ surface, whereas the electron diffusion coefficient ($D_e$) was not varied. As a result, the $V_{oc}$ increased from 0.487 to 0.545 V, without appreciable change in short circuit current ($J_{sc}$), thus inducing the enhancement of photovoltaic conversion efficiency (${\eta}$) from 3.01% to 3.38%.

• Bulletin of the Korean Chemical Society
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• 제33권3호
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• pp.1071-1074
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• 2012

• Bulletin of the Korean Chemical Society
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• 제23권2호
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• pp.281-285
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• 2002

The photophysical properties and the singlet oxygen generation efficiencies of meso-tetraphenyl-trithiasapphyrin $(S_3TPS)$ and meso-tetmkis(p-methoxy phenyl)-trithiasapphy rin ((p-MeO)-$S_3TPS$) have been investigated, utilizing steady-state and time-resolved spectroscopic methods to elucidate the possibility of their use as photosensitizers for photodynamic therapy (PDT). The observed photophysical properties were compared with those of other porphyrin-like photosensitizers in geometrical and electronic structural aspects, such as extended ${\pi}$ conjugation, structural distortion, and internal heavy atoms. The steady-state electronic absorption and fluorescence spectra were both red-shifted due to the extended ${\pi}$-conjugation. The fluorescence quantum yields were measured as very small. Even though intersystem crossing rates were expected to increase due to the increment of spin orbital coupling, the triplet quantum yields were measured as less than 0.15. Such characteristics can be ascribed to the more enhanced internal conversion rates compared with the intersystem crossing rates. Furthermore, the triplet state lifetimes were shortened to -1.0 ${\mu}s$ as expected. Therefore, the singlet oxygen quantum yields were estimated to be near zero due to the fast triplet state decay rates and the inefficient energy transfer to the oxygen molecule as well as the low triplet quantum yields. The low efficiencies of energy transfer to the oxygen molecule can be attributed to the lower oxidation potential and/or the energetically low lying triplet state. Such photophysical factors should be carefully evaluated as potential photosensitizers that have extended ${\pi}$-conjugation and heavy core atoms synthesized for red-shifted absorption and high triplet state quantum yields.

• Bulletin of the Korean Chemical Society
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• 제31권1호
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• pp.242-245
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• 2010