• Current Applied Physics
• /
• v.18 no.12
• /
• pp.1507-1512
• /
• 2018

The development of an organic-based aqueous redox flow battery (RFB) using quinone as an electroactive material has attracted great attention recently. This is because this battery is inexpensive, produces high energy density, and is environment friendly in stationary electrical energy storage applications. Herein, we investigate the redox potentials and solubilities of indole-5,6-quinone and indole-4,7-quinone derivatives in terms of the substituent effects of functional groups using theoretical calculations. Our results indicate that full-site substituted derivatives of indolequinone are more useful as active materials compared to single-site substituted derivatives. In particular, our calculations reveal that the substitution of $-PO_3H_2$ and $-SO_3H$ functional groups with multiple polar bonds is very effective in increasing the activity of the aqueous RFB. As a strategy to overcome the limitation that the aqueous solubility is intrinsically low because they are organic molecules, we suggest the substitution of functional groups with multiple polar bonds to the backbones of active organic materials. Among 180 indolequinone derivatives, 17 candidates that meet the redox potential standards ($${\leq_-}0.2V$$ or $${\geq_-}0.9V$$) and eight candidates with solubility exceeding 2 mol/L are identified. Three indolequinone derivatives that satisfy both conditions are finally presented as promising electroactive candidates for an aqueous RFB.

• Journal of the Korean Magnetics Society
• /
• v.26 no.2
• /
• pp.39-44
• /
• 2016

Determination of the structural, electronic, and magnetic properties of the magnetically doped bismuth-telluride alloys are drawing lots of interest in the fields of the thermoelectric application as well as the research on magnetic interaction and topological insulator. In this study, we performed the first-principles electronic structure calculations within the density functional theory for the Gd doped bismuth-tellurides in order to study its magnetic properties and magnetic phase stability. All-electron FLAPW (full-potential linearized augmented plane-wave) method is employed and the exchange correlation potentials of electrons are treated within the generalized gradient approximation. In order to describe the localized f-electrons of Gd properly, the Hubbard +U term and the spin-orbit coupling of the valence electrons are included in the second variational way. The results show that while the Gd bulk prefers a ferromagnetic phase, the total energy differences between the ferromagnetic and the antiferromagnetic phases of the Gd doped bismuth-telluride alloys are about ~1meV/Gd, indicating that the stable magnetic phase may be changed sensitively depending on the structural change such as defects or strains.

• Journal of the Korean Magnetics Society
• /
• v.15 no.1
• /
• pp.1-6
• /
• 2005

In this study we investigate the electronic structure and magnetism of transition metal (TM = Ti, Cr, Mn, Fe, Co, Ni, Ru, Pd, Ag ) deped ZnO($TM_{0.25}Zn_{0.75}O$), which are expected to have Curie temperature. Full-potential Linearized Augmented Plane Wave(FLAPW) metod is adopted with exchange-correlation potential expressed as general gradient approximation(GGA). The calculated magnetic moments of ($TM_{0.25}Zn_{0.75}O$) are 0.83, 3.03, 4.03, 3.48, 2.47, 1.56, 0.43, 0.75, 0.01 ${\mu}_B$ for TM = Ti, Cr, Mn, Fe, Co, Ni, Ru, Pd, Ag, respectively. The nearest neighbor O atom to the transition metal is calculated to have a significant magnetic moment of about 0.1${\mu}_B$, ?? 새 strong hybridization between O-p and TM-d bands. As the results, the systems may have larger magnetic moments in total, compared to the corresponding isolated atoms. The 3d TM doped systems exhibit the half-metallic character except Co, wheres the 4d TM doped systems behave like normal metals and low spin polarization at the Fermi levels.

• Journal of the Korean Vacuum Society
• /
• v.17 no.5
• /
• pp.387-393
• /
• 2008

Using a first-principles total-energy method, we investigate structural and energy changes on Ag/Si(111)$\sqrt{3}{\times}\sqrt{3}$($\sqrt{3}-Ag$ hereafter) as the number of the additional Ag adatoms increases. The Ag coverage varies from 0.02 to 0.14 ML. Most Ag adatoms occupy the ST site, which is the center of small triangles of the substrate Ag layer that is composed of small and large triangles. One of the interesting adsorption features is that the adatoms immerse below the substrate layer. The total energy calculations show that the clusters become the most stable when the number of Ag atoms is three. This three-Ag cluster becomes the building block of the $\sqrt{21}{\times}\sqrt{21}$ phase that shows a large surface conductivity. The simulated STM images show that the adatoms look dark in filled-state images while bright in empty-state images. This suggests that the adatoms donate their charge to the substrate. The simulated STM images agree well with the experimental images.

• Journal of the Korean Magnetics Society
• /
• v.24 no.2
• /
• pp.35-40
• /
• 2014

We investigate magnetism and magnetocrystalline anisotropy of CoFe thin films, using VASP code in GGA. In this study Co-terminated and Fe-terminated 5-layer CoFe thin films are employed. The Co-terminated CoFe thin film shows two total energy minima at 2-dimensional lattice constants of $2.45{\AA}$ and $2.76{\AA}$. The film of $2.45{\AA}$ has fcc-like structure and the film of $2.76{\AA}$ has bcc-like structure similarly to a bulk CoFe alloy. And the fcc-like film is more stable by the energy difference of about 160 meV compared to the bcc-like film. The Fe-terminated CoFe film shows very complicated behaviour of total energy which is suspected to be closely related to its complex magnetic structure. The Co-terminated CoFe film of $2.76{\AA}$ shows perpendicular magnetocrystalline anisotropy (MCA), while the film of 2.45 does parallel MCA. The Fe-terminated CoFe film also exhibits similar MCA behaviour.

• Journal of Elementary Mathematics Education in Korea
• /
• v.13 no.1
• /
• pp.17-30
• /
• 2009

This paper is about the basic skills of four operations in numbers and operations areas from step 1 to step 3 in elementary mathematics. Here are the results of the evaluation. First, addition and subtraction take the largest time. The average difficulty rate in operations area is 91.2%. Most students understand the contents of textbook well. Specifically, students easily understand the step 1. However, subtraction has lower difficulty rate than addition. Also, three mixed computation, calculation in horizontal, and rounding(rounding down) are difficult areas for students. The contents of step 2 are fully understood. However, lots of mistakes are found in the process of rounding(rounding down), and sentence problems are thought as difficult. Second, the multiplication is first starting in the step 2-Ga. The unit 'Multiplication 99' takes 13 hours, the longest. The difficulty rate in this unit is 89.4%, students understand well. However, students are influenced by addition and subtraction errors in the process of multiplication, and have difficulty in changing the sentence problem to multiplication expression. Third, the division, which starts in step 3-Ga, has 89.9% of difficulty rate. Students well understand. Result of this paper: most of students understand well four operations, but accurate concept, the relationship between multiplication and division, specific instructions in teaching principles of division calculation and sentence problems are in need. Setting the amount of the contents and difficulty rate in understanding are depends on every school's situation, so suggesting universal standard is really hard. However, studying more objects broadly and specific study will be helpful to suggest proper contents and effective teaching.

• Journal of the Korean Magnetics Society
• /
• v.18 no.6
• /
• pp.211-216
• /
• 2008

The effects of Si impurity on electronic structures and magnetism of bcc Fe are investigated by using a first-principles method by considering spin-orbit coupling. In order to describe the Si impurity, a 27 atomic bcc Fe supercell has been considered. The Kohn-Sham equation was solved in terms of the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). The effects of spin-orbit coupling were calculated self-consistently by considering spin-diagonal terms based on second variation method. For the ferromagnetic (FM) state without considering SOC, the spin magnetic moment of the Si impurity was calculated to be $-0.143{\mu}B$, while the magnetic moments of Fe atoms were calculated to be $2.214{\mu}B$, $2.327{\mu}B$, and $2.354{\mu}B$ in away from the Si atom, respectively. However, the FM state with considering SOC, the spin magnetic moment of the Si impurity was calculated to be $-0.144{\mu}B$, which is not affected significantly by SOC, but the spin magnetic moments of Fe atoms were calculated $2.189{\mu}B$, $2.310{\mu}B$, and $2.325{\mu}B$, respectively, which are much reduced value compared to those of the FM state without SOC. Comparing the total charge density and spin density, those features are thought to be originated by the screening distortions of the Fe $t_{2g}$ orbital, which can be obtained by considering SOC.

• THE INTERNATIONAL COMMERCE & LAW REVIEW
• /
• v.55
• /
• pp.155-181
• /
• 2012

This study considered as precautions in light of practical affairs related to a claim for damages focusing on CISG (1980) and PICC (2004). Given summarizing contents of this study, those are as follows. First, when exercising a claim for damages, proving the damages may be difficult and hard. Thus, there is necessity for stating the liquidated damages clause in contract given conclusion of contract. Second, as for the application of interest rate given a claim for interest, CISG is not covered interest rate. PICC is covered interest rate. However, there is possibility that PICC will not be applied as general principles. Thus, to remove this insecurity and uncertainty, there is necessity for stating this in contract by deciding on the detailed standard stipulation after fully discussing about interest payment with the counterpart given sale contract. Third, when a seller delivered non-conformity of the goods for contract, a buyer is desirable to exercise by discreetly judging the exercise method or limitation element on a problem of selecting and exercising remedy favorable to oneself out of a claim for damages and a right to reduce the price. Finally, There was suggestion that the contract parties are desirable to utilize by modifying and supplementing properly this in line with own business-based necessity and situation based on the ICC Model International Sale Contract, and to state CISG and PICC the governing law clause, in preparing contract. This study is expected to possibly become guideline in which the damaged party exercises a claim for damages or aims to cope with the counterpart's exercising a claim for damages.

• Journal of Magnetics
• /
• v.14 no.4
• /
• pp.137-143
• /
• 2009

The convergence behavior of the all-electron full-potential linearized augmented plane-wave (FLAPW) method with the explicit orthogonalization (XO) scheme is tested on ferromagnetic bulk body-centered-cubic Fe. Applying a commonly used criterion relating the plane-wave and angular momentum cutoffs, $l_{max}\;=\;R_{MT}K_{max}$, where $R_{MT}$ is the muffin-tin (MT) sphere radius and $K_{max}$ is the plane-wave cutoff for the basis - the total energy is converged and stable for $K_{max}R_{MT}$ = 10. The total energy convergence dependence on the star-function cutoff, $G_{max}$, is minimal and so a $G_{max}$ of 3$K_{max}$ or a large enough $G_{max}$ is a reasonable choice. We demonstrate that the convergence with respect to $l_{max}$ or a fixed large enough $G_{max}\;and\;K_{max}$ are independent, and that $K_{max}$ provides a better measure of the convergence than $R_{MT}K_{max}$. The dependence of the total energy on $R_{MT}$ is shown to be small if the core states are treated equivalently, and that the XO scheme is able to treat systems with significantly smaller $R_{MT}$ than the standard LAPW method. For converged systems, the calculated lattice parameter, bulk modulus, and magnetic moments are in excellent agreement with the experimental values.

• Journal of Engineering Education Research
• /
• v.22 no.6
• /
• pp.12-20
• /
• 2019

The purpose of this study is to development of a teaching-learning model for active learning in engineering education. For this, the adequacy between educational objectives and active learning activities is verified and furthermore an "active learning teaching-learning model" is suggested. This suggested teaching-learning model is expected to supplement weakness of traditional lecture-type teaching-learning activity. Based on the literature review, first, the representative activities of active learning were derived. there are twenty active learning activities, which compose of five of individual learning activity, five of pair-learning activity and five of group-learning activity, and five of alternative- learning activity. In addition, a survey on adequacy between designed active learning activities and learning outcomes were conducted to ten educational experts. Lawshe's content validity calculation method was applied to analyze the validity of this study. Second, five teaching-learning principles, such as thinking, interaction, expression, reflection, and evaluation were derived to develop an "active learning teaching-learning model" which supplements lecture-type classes and then the "TIERA teaching-learning model" which consists of five stages was designed. Finally, based on the survey on educational experts, adequate active learning activities were proposed to apply in each stage of the "TIERA teaching-learning model" and as a result the TIERA model's active learning activities were developed. The result of this study shows that some activities of active learning are appropriate to induce high cognitive learning skills from the learners even in traditional lecture-type classrooms and therefore this study suggests meaningful direction to new paradigm of teaching-learning for engineering education. This study also suggests that instructors of engineering education can turn their traditional teaching-learning activities into dynamic learning activities by utilizing "active learning teaching-learning model".