• Polymer(Korea)
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• v.38 no.6
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• pp.801-808
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• 2014

Ion diffusion and chemical binding to acrylic polymer were investigated in a solid film. The composition of acrylic monomers containing amino group and carboxylic acid was adjusted for rapid ion migration in the film. p-Methylred (PMR) and phenolphthalein derivatives were optically sensitive to the concentration of proton and hydroxyl anion, respectively and verified the ion migration through the film layers. A rapid proton migration was observed in the film of a high amino content. On the other hand, $OH^-$ migration occurred rapidly in a high content of carboxylic acid group. The proton migration occurred through the internal layer as well as surface layer of a film and was reversible during 50 repetition examination. Copper(II) ion migration was examined with a Rhodamine-containing polymer film. The light absorption and emission spectra of a Rhodamine-Cu complex showed the key contribution of carboxylic acid group to the Cu(II) migration in a film.

• Journal of the Korean Ceramic Society
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• v.48 no.2
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• pp.195-199
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• 2011

The effect of copper oxide on migration and interaction of protons in barium zirconate was investigated using density functional theory. One copper atom was substituted for a zirconium atom site, and a proton was added to a $3{\times}3{\times}3$ barium zirconate superstructure. An energy barrier of 0.89 eV for proton migration was the highest among several energy barriers. To investigate the interaction between multiple protons and a copper atom, two protons were added to the superstructure. Various proton positions were determined by the interaction between the two protons and the copper atom.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.279-279
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• 2012

In order to estimate the average migration lengths of $H_3O^+$ ions in amorphous ice, we conducted experiments of reactive ion scattering (RIS), low energy sputtering (LES), and reflection absorption IR spectroscopy (RAIRS) with an ultra-high vacuum (UHV) chamber. Dopped water-ice films were grown on the clean surface of Ru single crystal and analyzed with RIS, LES and RAIRS methods. The population changes of probe molecules, which were buried at a controlled distance from the surface, were monitored by those methods so that we can mesure the migration efficiencies. From the measured efficiencies, we evaluated the average migration lengths. This result is expected to give the information about the dynamics of proton in water-ice film.

• Bulletin of the Korean Chemical Society
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• v.29 no.3
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• pp.539-540
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• 2008

• Journal of the Korean Ceramic Society
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• v.37 no.3
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• pp.271-279
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• 2000

5 m/o Yb-doped SrCeO3 proton conductor was prepared by a solid state reaction method and its total electriccal conductivity measured as a function of both oxygen partial pressure and water vapor partial pressure in the temperature range of 500~100$0^{\circ}C$. From the total conductivity have been deconvoluted the partial conductivities of oxide ions, protons, and holes, respectively, on the basis of the defect model proposed. The equilibrium constant of hydrogen-dissolution reaction, proton concentration, and mobilities of oxygen vacancies and protons have subsequently been evaluated. It is verified that SrCe1-xYbxO3 is a mixed conductor of holes, protons and oxide ions and the proton conduction prevails as temperature decreases and water vapor pressure increases. The heat of water dissolution takes a representative value of $\Delta$HoH=-(140$\pm$20) kJ/mol-H2O, but tends to be less negative with increasing temperature. Migration enthalpies of proton and oxygen vacancy are extracted as 0.83$\pm$0.10 eV and 0.81$\pm$0.01 eV, respectively.

• Journal of the Korean Ceramic Society
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• v.53 no.3
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• pp.301-305
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• 2016

We investigate proton conduction in a nonstoichiometric ${\Sigma}3$ $BaZrO_3$ (210)[001] tilt grain boundary using density functional theory (DFT). We employ the space charge layer (SCL) and structural disorder (SD) models with the introduction of protons and oxygen vacancies into the system. The segregation energies of proton and oxygen vacancy are determined as -0.70 and -0.54 eV, respectively. Based on this data, we obtain a Schottky barrier height of 0.52 V and defect concentrations at 600K, in agreement with the reported experimental values. We calculate the energy barrier for proton migration across the grain boundary core as 0.61 eV, from which we derive proton mobility. We also obtain the proton conductivity from the knowledge of proton concentration and mobility. We find that the calculated conductivity of the nonstoichiometric grain boundary is similar to those of the stoichiometric ones in the literature.

• Bulletin of the Korean Chemical Society
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• v.30 no.3
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• pp.700-702
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• 2009

• Korean Journal of Metals and Materials
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• v.49 no.12
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• pp.977-982
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• 2011

Migration and interaction of multi-protons in a zinc-doped barium zirconate (Zn-doped $BaZrO_3$) super cell were investigated using a density functional theory. O ions in the super cell form interconnected octahedrons with Zr or Zn ions positioned in their centers and Ba ions positioned among the eight octahedrons. When one proton was added to the super cell, the energy barrier of 0.80 eV for proton transfer from the first to second nearest O ion sites from the Zn ion reached its highest value. When two protons were added to the super cell, the two protons preferred the first nearest O ions from the Zn ion. The two protons were accommodated by pushing the neighboring Zn ion further away from the center of the octahedron. Energy barriers for proton transfer from the Zn-octahedron to the neighboring Zr-octahedron were spread in the range of 0.36 ~ 1.02 eV.

• Nuclear Engineering and Technology
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• v.39 no.6
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• pp.747-752
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• 2007

The Proton Engineering Frontier Project (PEFP) has designed and developed a proton linear accelerator facility operating at 100 MeV - 20 mA. The radiological effects of such a nuclear facility on the environment are important in terms of radiation safety. This study estimated the production rates of radionuclides in the soil around the accelerator facility using MCNPX. The groundwater migration of the radioisotopes was also calculated using the Concentration Model. Several spallation reactions have occurred due to leaked neutrons, leading to the release of various radionuclides into the soil. The total activity of the induced radionuclides is approximately $2.98{\times}10^{-4}Bq/cm^3$ at the point of saturation. $^{45}Ca$ had the highest production rate with a specific activity of $1.78{\times}10^{-4}Bq/cm^3$ over the course of one year. $^3H$ and $^{22}Na$ are usually considered the most important radioisotopes at nuclear facilities. However, only a small amount of tritium was produced around this facility, as the energy of most neutrons is below the threshold of the predominant reactions for producing tritium: $^{16}O(n,\;X)^3H$ and $^{28}Si(n,X)^3H$ (approximately 20 MeV). The dose level of drinking water from $^{22}Na$ was $1.48{\times}10^{-5}$ pCi/ml/yr, which was less than the annual intake limit in the regulations.

• Korean Journal of Pharmacognosy
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• v.1 no.2
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• pp.1-10
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• 1970

The cyclization of geranylgeranyl pyrophosphate followed by ionization, proton elimination or cation center migration produces dicyclic, tricyclic and tetracyclic diterpenoids. The role of some of diterpenoids in animals is well known but their precise functions in plants remain to be explained.