• Title/Summary/Keyword: charge-density method

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Electronic Structure of Oxygen in the Defective Nickel Monoxide

  • Lee, Gwang Sun;Gu, Hyeon Ju;Ham, Gyeong Hui;An, Un Seon
    • Bulletin of the Korean Chemical Society
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    • v.16 no.2
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    • pp.164-168
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    • 1995
  • The band structure of nickel monoxide having a cation defect rock salt structure is calculated by means of the tight-binding extended Huckel method. The calculation is also made for the net charge, the DOS, the COOP, the electron density of the constituent atoms, and the O 1s binding energy shift when one of the adjacent nickel atoms is defected. It is found that the band gap near the Γ direction on the Brillouin zone is about 0.2 eV, and that all of the properties calculated including the electronic structure of the oxygen atom are more effectively affected by the surface defect than the inside one. The core O 1s binding energy shift is calculated by the use of valence potential method and the results are very satisfactory in comparison with the XPS experimental findings.

Electrochemical Characteristics of EDLC with various Organic Electrolytes (유기전해질에 따른 EDLC의 전기화학적 특성)

  • Yang Chun-Mo;Lee J.K.;Cho W.I.;Cho B.W.;Rim Byung-O
    • Journal of the Korean Electrochemical Society
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    • v.4 no.3
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    • pp.113-117
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    • 2001
  • Specific capacitance and charge-discharge rate of EDLC using activated carbon electrode were affected by the compositions of electrolytes, the conditions of charge-discharge and physical properties of activated carbon materials. The activated carbon electrode was prepared by dip coating method. Charge-discharge test and electrochemical experiments were carried out for various kinds of organic electrolytes. Effects of charge and discharge current density on the specific capacitance were studied. Characteristics of leakage current, self-discharge and time-voltage curves in optimum conditions of organic electrolytes were compared with conventional $1M-Et_4NBF_4/PC$ electrolyte. The EDLC using MSP-20(specific surface area: $2000m^2/g$) electrode and $1M-LiPF_6/PC-DEC(1:1)$ was exhibited th highest specific capacitance of 130F/g and low polarization resistances. The EDLC using MSP-20 electrode at $1M-LiPF_6/PC-DEC(1:1)$ was small leak current of 0.0004A for 15min, long voltage retention of 0.8V after 100h and linear time-voltage curves with small IR-drop.

Measurement of Electron-neutral Collision Frequency Using Wave-cutoff Method

  • Yu, Gwang-Ho;Na, Byeong-Geun;Kim, Dae-Ung;Lee, Yun-Seong;Park, Gi-Jeong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.234-234
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    • 2011
  • Electron-neutral collision frequency is one of the important parameters in the plasma physics and in industrial plasma engineering. We can understand the momentum, energy, and charge transport properties of the plasma using electron-neutral collision frequency.[1] The wave-cutoff method is a diagnostic method for the electron density measurement, but the cutoff peak value depends on gas pressure. The wave-cutoff signal becomes unclear as increasing gas pressure. The reason of pressure dependence is that the electron-neutral collision disturbs electron motion so that microwave can propagate through plasma at plasma frequency.[2] Using the pressure dependence of wave-cutoff method we can find the electron-neutral collision frequency. At first we tried to confirm this method using well known gas such as Ar. The cutoff signal decrease as increasing gas pressure (the simulation result). The wave-cutoff signal is unclear at a gas pressure of 500 mTorr. (electron density $1.0{\times}10^{10}/cm^3$, electron temperature 1.7 eV, electron -neutral collision frequency~1 GHz). In this condition, the electron-neutral collision frequency is closed to the wave-cutoff frequency.

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Development and Test of 2.5-Dimensional Electromagnetic PIC Simulation Code

  • Lee, Sang-Yun;Lee, Ensang;Kim, Khan-Hyuk;Seon, Jongho;Lee, Dong-Hun;Ryu, Kwang-Sun
    • Journal of Astronomy and Space Sciences
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    • v.32 no.1
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    • pp.45-50
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    • 2015
  • We have developed a 2.5-dimensional electromagnetic particle simulation code using the particle-in-cell (PIC) method to investigate electromagnetic phenomena that occur in space plasmas. Our code is based on the leap-frog method and the centered difference method for integration and differentiation of the governing equations. We adopted the relativistic Buneman-Boris method to solve the Lorentz force equation and the Esirkepov method to calculate the current density while maintaining charge conservation. Using the developed code, we performed test simulations for electron two-stream instability and electron temperature anisotropy induced instability with the same initial parameters as used in previously reported studies. The test simulation results are almost identical with those of the previous papers.

Characteristics of Carbon-Doped Mo Thin Films for the Application in Organic Thin Film Transistor (유기박막트랜지스터 응용을 위한 탄소가 도핑된 몰리브덴 박막의 특성)

  • Dong Hyun Kim;Yong Seob Park
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.36 no.6
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    • pp.588-593
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    • 2023
  • The advantage of OTFT technology is that large-area circuits can be manufactured on flexible substrates using a low-cost solution process such as inkjet printing. Compared to silicon-based inorganic semiconductor processes, the process temperature is lower and the process time is shorter, so it can be widely applied to fields that do not require high electron mobility. Materials that have utility as electrode materials include carbon that can be solution-processed, transparent carbon thin films, and metallic nanoparticles, etc. are being studied. Recently, a technology has been developed to facilitate charge injection by coating the surface of the Al electrode with solution-processable titanium oxide (TiOx), which can greatly improve the performance of OTFT. In order to commercialize OTFT technology, an appropriate method is to use a complementary circuit with excellent reliability and stability. For this, insulators and channel semiconductors using organic materials must have stability in the air. In this study, carbon-doped Mo (MoC) thin films were fabricated with different graphite target power densities via unbalanced magnetron sputtering (UBM). The influence of graphite target power density on the structural, surface area, physical, and electrical properties of MoC films was investigated. MoC thin films deposited by the unbalanced magnetron sputtering method exhibited a smooth and uniform surface. However, as the graphite target power density increased, the rms surface roughness of the MoC film increased, and the hardness and elastic modulus of the MoC thin film increased. Additionally, as the graphite target power density increased, the resistivity value of the MoC film increased. In the performance of an organic thin film transistor using a MoC gate electrode, the carrier mobility, threshold voltage, and drain current on/off ratio (Ion/Ioff) showed 0.15 cm2/V·s, -5.6 V, and 7.5×104, respectively.

A Study on Energy Recovery Circuit in Sputtering Plasma Power supply for arc Discharge Prevention (스퍼터용 플라즈마 전원장치의 아크방지를 위한 에너지 회생회로에 대한 연구)

  • Ban, Jung-Hyun;Han, Hee-Min;Kim, Joohn-Sheok
    • The Transactions of the Korean Institute of Electrical Engineers P
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    • v.61 no.3
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    • pp.116-121
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    • 2012
  • Recently, in the field of renewable energy such as solar cells including the semiconductor and display industries, thin film deposition process is being diversified. Furthermore, to deal with trend of making high-quality and fast, the high-capacity and output plasma power supply which can control high density plasma is required. The biggest problem is arc discharge caused by using high voltage power supply. Thus, the key function of plasma power supply is to prevent arc discharge and there is a need to maintain the possible minimum arc energy. In DC sputtering power supply, on a periodic basis (-)voltage powering up is able to significantly reduce arcing, as well as arc discharge prevention, and maintaining uniform charge density. This conventional method for powering up (-)voltage requires heavy mutual inductance of the transformer to avoid distortion problem of the output voltage. This study is about energy recovery circuit for arc discharge prevention in sputtering plasma power supply. By using energy recovery circuit, it is possible to reduce the mutual inductance and size of the transformer dramatically, prevent distortion of the output voltage and has a stable output waveform. This work was proved through simulation and experimental study.

A Study on the Switching and Retention Characteristics of PLT(5) Thin Films (PLT(5) 박막의 Switching 및 Retention 특성에 관한 연구)

  • Choi Joon Young;Chang Dong Hoon;Kang Seong Jun;Yoon Yung Sup
    • Proceedings of the IEEK Conference
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    • 2004.06b
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    • pp.367-370
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    • 2004
  • We fabricated PLT(5) thin film on $Pt/TiO_x/SiO_2/Si$ substrate by using sol-gel method and investigated leakage current, switching and retention properties. The leakage current density of PLT(5) thin film was $3.56{\times}10^{-7}A/cm^2$ at 4V. In the examination of switching properties, pulse voltage and load resistance were $2V{\~}5V$ and $50{\Omega}{\~}3.3k{\Omega}$, respectively. Switching time had a tendency to decrease from 520ns to 140ns with the increase of pulse voltage, and also the time was increased from 140ns to $13.7{\mu}s$ with the increase of load resistance. The activation energy obtained from the relation of applied pulse voltage and switching time was about 143kV/cm. The error of switched charge density between hysteresis loop and experiment of polarization switching was about $10\%$. Also, polarization in retention was decreased as much as about $8\%$ after $10^5$s.

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Analytical Investigations on the Figures of Meander Lines on the YBCO Thin Film for Resistive Fault Current Limiters (YBCO 박막형 저항형 한류기에 적용 가능한 Meander Line 해석 연구)

  • 이방욱;강종성;박권배;오일성;현옥배
    • Proceedings of the Korea Institute of Applied Superconductivity and Cryogenics Conference
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    • 2002.02a
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    • pp.221-224
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    • 2002
  • Superconducting electrical devices are under development in a national project in Korea. And KEPCO and LGIS are in charge of development of a resistive type fault current limiters(FCLs) with YBCO thin films. In order to realize FCLs, the rated power of FCLs must be increased. For this purpose, it is of great interest to increase of allowed voltage of unit component without electrical and thermal damages. So, meander lines were widely used for the conducting path to increase maximum electric field. In this research, numerical simulations on the electromagnetic behaviors of the device were carried out, especially focusing on the effect of meander line structures on the YBCO thin films. To evaluate the structures of meander lines, three types of meander lines were considered for numerical analysis using finite element method (FEM). In this simulation, both normal state and fault conditions were considered for calculation of electric field, current density, magnetic field density. And the simulation resulted are compared to find the optimum design of meander lines for resistive FCLs.

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Electronic States Calculation of Fe4N by DV-Xα cluster calculation (DV-Xα 클러스터 계산법에 의한 Fe4N의 전자상태계산)

  • Song, Dong-Won;Lee, In-Seop;Bae, Dong-Su
    • Korean Journal of Materials Research
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    • v.12 no.1
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    • pp.44-47
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    • 2002
  • DV(Discrete Variation)-X${\alpha}$ cluster calculation was employed to calculate the electronic states of ${\gamma}'- Fe_4N$ which was one of iron nitride phases synthesized from plasma ion nitriding to improve surface hardness and wear resistance. The result of calculated electron density of states for Fe was similar to the result of band calculation. The cluster used for calculation of electronic states of ${\gamma}'-Fe_4N$ was based on $Fe_{14}N$ cluster which comprises 15 atoms. Finally the electronic states of ${\gamma}'- Fe_4N$ such as net-charge, band order, energy level, electron wave-function, and contour map for electron density were derived by the calculation.

Theoretical Studies on Electronic Structure and Absorption Spectrum of Prototypical Technetium-Diphosphonate Complex 99mTc-MDP

  • Qiu, Ling;Lin, Jian-Guo;Gong, Xue-Dong;Ju, Xue-Hai;Luo, Shi-Neng
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2358-2368
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    • 2011
  • Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations, employing the B3LYP method and the LANL2DZ, 6-31G$^*$(LANL2DZ for Tc), 6-31G$^*$(cc-pVDZ-pp for Tc) and DGDZVP basis sets, have been performed to investigate the electronic structures and absorption spectra of the technetium-99m-labeled methylenediphosphonate ($^{99m}Tc$-MDP) complex of the simplest diphosphonate ligand. The bonding situations and natural bond orbital compositions were studied by the Mulliken population analysis (MPA) and natural bond orbital (NBO) analysis. The results indicate that the ${\sigma}$ and ${\pi}$ contributions to the Tc-O bonds are strongly polarized towards the oxygen atoms and the ionic contribution to the Tc-O bonding is larger than the covalent contribution. The electronic transitions investigated by TDDFT calculations and molecular orbital analyses show that the origin of all absorption bands is ascribed to the ligand-to-metal charge transfer (LMCT) character. The solvent effect on the electronic structures and absorption spectra has also been studied by performing DFT and TDDFT calculations at the B3LYP/6-31G$^*$(cc-pVDZ-pp for Tc) level with the integral equation formalism polarized continuum model (IEFPCM) in different media. It is found that the absorption spectra display blue shift in different extents with the increase of solvent polarity.