• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.76-76
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• 2010

Using ab initio density functional calculations, we investigate the structural and electronic properties of porous schwarzite structures formed by $sp^2$ carbon minimal surfaces with negative Gaussian curvature. We calculate the equilibrium geometries, elastic properties and electronic structure of two systems with cubic unit cells containing 152 and 200 carbon atoms, which are metallic and very rigid. The porous schwarzite structure can be efficiently doped by electron donors as well as accepors, making it a promising candidate for the next generation of alkali ion batteries. Furthermore, the schwarzite structures can be magnetic when doped and thus act as arrays of interconnected quantum spin dots. We also propose that two interpenetrating schwarzite structures be used as a ultimate super-capacitor.

• Asia pacific journal of information systems
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• v.15 no.3
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• pp.1-7
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• 2005

This paper examines strategic competition model between offline and online retailers and draws strategic implications. Research on the price competition between conventional offline retailers and online retailers has been done through empirical approaches, however, the results are conflicting. This paper reconciles the existing conflicting empirical findings on price levels between offline and online retailers through theoretical approach. This paper analyzes how the internet market has effect on equilibrium prices of both offline and online retailers and discusses the possible reasons why there exist price differences between offline and online retailers in business to consumer electronic commerce.

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.472-474
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• 2014

Carbon nanotubes (CNTs) have been intensively investigated since they have been considered as building blocks of nanoscience and nanotechnology. Theoretical and computational studies on CNTs have revealed their physical and chemical properties and helped researchers build various experimental devices to study them in depth. However, there have been only few systematic studies on detailed changes in electronic structures of CNTs due to geometrical structure modifications. In this regard, it is necessary to perform systematic investigations of the modifications in electronic structures of CNTs, as their geometrical configurations are altered, using the first-principles density functional theory. In other words, it is essential to determine the true equilibrium structure of CNTs. We are going to construct different atomic configurations of each nanotube by maintaining the original symmetries, but changing all the other bonding types one by one. Furthermore, as for CNTs, for example, the way the graphene sheet is wrapped is represented by a pair of indices (n,m) and electronic structures of CNTs vary depending on different indices. Therefore, we plan to study and discuss all the significant couplings between electronic and geometric structures in CNTs.

• Bulletin of the Korean Chemical Society
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• v.12 no.2
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• pp.211-213
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• 1991

The ground state of the oxygen molecule is calculated by various methods of coupled cluster approaches and many body perturbation theory using a double zeta plus polarization basis set and the UHF reference state. All the methods employed are capable of describing the oxygen molecule near the equilibrium bond length and the separated atom, but do not correctly depict the breaking of the multiple bond. For this basis set, including more correlations does not necessarily improve the agreement with experiment for molecular properties such as bond lengths and dissociation energies.

• Proceedings of the KIEE Conference
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• 1987.07a
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• pp.465-468
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• 1987

This paper describes a model to calculate the equilibrium electron density of MODFET at the interface that takes into account the simultaneous shallow and deep level in the Al-GaAs layer. In the present study we have made an investigation of the interface electron density with different values of the AlGaAs doping density and spacer layer thickness, considering simultaneously two doner levels. In this case, the ratio of the shallow to the deep donor concentraction is considered. From the comparison with early experimental results we could find the deep level and that the deep donor concentration is about 50% with the Al mole fraction X ${\sim}0.3$, activation energy Edx=65meV, temperature $77^{\circ}K$ and spacer thickness range $50A{\sim}100A$. Also we have investigated the effect of the temperature. As temperature increase, at critical mole fraction X the nature of the donor concentration changes from $\Gamma$ to L and X.

• Advances in concrete construction
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• v.5 no.6
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• pp.563-573
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• 2017

Transparency, excellent toughness, thermal stability and a very good dimensional stability make Polycarbonate (PC) one of the most widely used engineering thermoplastics. Polycarbonate market include electronics, automotive, construction, optical media and packaging. One alternative for reducing the environmental pollution caused by polycarbonate from electronic waste (e-waste), is to use it in cement concretes. In this work, physical and chemical characterization of recycled polycarbonate from electronic waste was made, through the analysis by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), energy dispersive spectroscopy (EDS) and scanning electron microscope (SEM). Then cement concrete was made with Portland cement, sand, gravel, water, and this recycled polycarbonate. Specimens without polycarbonate were produced for comparison purposes. The effect of the particle sizes and concentrations of recycled polycarbonate within the concrete, on the compressive strength and density was studied. Results show that compressive strength values and equilibrium density of concrete depend on the polycarbonate particle sizes and its concentrations; particularly the highest compressive strength values were 20% higher than that for concrete without polycarbonate particles. Moreover, morphological, structural and crystallinity characteristics of recycled polycarbonate, are suitable for to be mixed into concrete.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2009.06a
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• pp.132-132
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• 2009

A 2D-simulation using a quantum model of silicon nanowire (SiNW) field-effect transistors (FETs) have been performed by the effective mass theory. We have investigated very close for real device analysis, so we used to the non-equilibrium Green's function (NEGF) and the density gradient of quantum model. We investigated I-V characteristics curve and C-V characteristics curve of the channel thickness from 5nm to 200nm. As a result of simulation, even higher drain current in SiNW using a quantum model was observed than in SiNW using a non-quantum model. The reason of higher drain current can be explained by the quantum confinement effect.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.647-647
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• 2013

We apply a density functional theory (DFT) and DFT-based non-equilibrium Green's function approach to study the structures, energetics and charge transport characteristics of nitrogen-doped graphene and graphene nanoribbons (GNRs) with additional doping of phosphorus or boron atoms. Considering graphitic, pyridinic, and porphrin-like N doping sites and increasing N-doping concentration, we analyze the structures of N-P and N-B doped graphene and particularly focus on how they affect the charge transport along the lateral direction. For the GNRs, we also consider the differences between defects formed at the edge and bulk regions. Implications of our findings in the context of electronic and energy device applications will be also discussed.

• International Journal of Aeronautical and Space Sciences
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• v.18 no.1
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• pp.28-37
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• 2017

Recent modeling of thermal nonequilibrium processes in simple molecules like hydrogen and nitrogen has indicated that rotational nonequilibrium becomes as important as vibrational nonequilibrium at high temperatures. In the present work, in order to analyze rovibrational nonequilibrium, the rotational mode is separated from the translational-rotational mode that is usually considered as an equilibrium mode in two- and multi-temperature models. Then, the translational, rotational, and electron-electronic-vibrational modes are considered separately in describing the thermochemical nonequilibrium of nitrogen behind a strong normal shock wave. The energy transfer for each energy mode is described by recently evaluated relaxation time parameters including the rotational-to-vibrational energy transfer. One-dimensional post-normal shock flow equations are constructed with these thermochemical models, and post-normal shock flow calculations are performed for the conditions of existing shock-tube experiments. In comparisons with the experimental measurements, it is shown that the present thermochemical model is able to describe the rotational and electron-electronic-vibrational relaxation processes of nitrogen behind a strong shock wave.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1997.04a
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• pp.154-159
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• 1997

This paper describes the electron transport characteristic in SiH$_4$ gas calculated for range of E/N values from 0.5~300(Td) by the Monte Calro simulation and Boltzmann equation method using a set of electron collision cross sections determined by the authors and the values of electron swarm parameters are obtained for TOF method. The results gained that the value of an electron swarm parameter such as the electron drift velocity, the electron ionization coefficients longitudinal and transverse diffusion coefficients, characteristics energy agree with thee experimental and theoretical for a range of E/N. The electron energy distributions function were analysed in monosilane at EN : 30, 50(Td) for a case of equilibrium region in the mean electron energy. The validity of the results obtained has been confirmed by a TOF method.