• Title/Summary/Keyword: Electronic transition

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Structure and Reactivity of Alkylchloroformates. MO Theoretical Interpretations on Halide Exchange Reaction (염화 포름산 알킬의 구조와 반응성. 할로겐화 이온 교환반응에 대한 분자궤도론적 고찰)

  • Lee, Bon Su;Lee, Ik Choon
    • Journal of the Korean Chemical Society
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    • v.18 no.4
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    • pp.223-238
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    • 1974
  • CNDO/2 MO theoretical studies and kinetic studies of halide exchange reactions for alkylchloroformates have been carried out in order to investigate structure-reactivity relationship of alkylchloroformates. From the result of energetics, it was concluded that the most stable configuration of alkylchloroformate is that in which alkyl group and chlorine are trans to each other, and that the hindered rotation about the bond between the carbonyl carbon and alkoxy-oxygen bond is attributed to the ${\pi}-$electron delocalization. It has been found that the large charge separation is due to -M effect of carbonyl and alkoxy oxygens and-I effect of chlorine. The order of rates in solvents studied was $(CH_3)_2 > CO > CH_3CN{\gg}MeOH.$$I^->Br^->Cl^-$ in protic solvent, and of Cl^->Br^- >I^-$ in dipolar aprotic solvents. Alkyl group contribution has the decreasing order of $CH_3-> C_2H-{\gg}i-C_3H_7-.$ The solvent effect has been interpreted on the basis of initial and final state contribution. A transition state model has been suggested, and it has been proposed that the most favorable mechanism is the addition-elimination. From the results of activation parameters and electronic properties, an energy profile has been proposed. Structural factors determining reactivities of alkylchloroformates have been shown to be charge, energy level of ${\alpha}^*LUMO$ to C-Cl bond and ${\alpha}^{\ast} $antibonding strength with respect to C-Cl bond in this MO. Charge and polarizability of nucleophile, and the interaction of these effects with solvent structures are also found to be important.

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Experimental Research for Traction force Sensor Development on Drawing Exercise Medical Instrument (재활 및 교정을 위한 견인운동치료기의 견인측정센서 개발에 관한 실험적 연구)

  • Lee, Sang-sik;Park, Won-yeop;Lee, Choong-ho
    • The Journal of Korea Institute of Information, Electronics, and Communication Technology
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    • v.2 no.2
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    • pp.3-8
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    • 2009
  • The traction system has been mainly used for rehabilitation and correction of patients with spine or gait diseases in orthopedics or at home. Some problems could occur in human body when patients forced their training using the traction system. So it needs to measure a traction force and control the training time. However, most of products on market have no sensor measuring traction force. Thus we designed and made a sensor detecting traction force using strain gauge, amplifier for transition to output signal and experiment devices for performance test. We carried out experiment of a sensor detecting a traction force and measured electric responses of it with respect to traction loads. Maximum error was within about 1% for experiments in static condition and the average error was about 0.7% for experiments in dynamic condition. We concluded that it is possible to use the developed sensor for measurement of traction force since the maximum output variation of a sensor detecting a traction force was about 0.3% in $0^{\circ}C-60^{\circ}C$ temperature condition.

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A study on ecosystem model of the magazines for smart devices Focusing on the case of magazine business in foreign countries (스마트 디바이스 잡지 생태계 모델 연구 - 외국 잡지의 비즈니스 사례를 중심으로)

  • Chang, Yong Ho;Kong, Byoung-Hun
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.15 no.5
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    • pp.2641-2654
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    • 2014
  • In the smart media environment, magazine industry has been experiencing a transition to ecosystem of value network, which includes high complexity and ambiguity. Using case study method, this article conducts research on digital convergence, the model of magazine ecosystem and adaptation strategy of global magazine companies. Research findings have it that the way of contents production of global magazines has been based on collaborative production system within communities, expert communities, creative users, media contents companies and magazine platform. The system shows different patterns and characteristics depending on magazine-driven platform, Platform-driven platform or user-driven platform. Collaboration system has been confirmed in various cases: Huffington Post and Zinio which collaborate with media contents companies, Amazon magazines and Bookish with magazine companies, Huffington Post and Wired with expert communities, and Flipboard with creative users and communities. Foreign magazine contents diverge into (paper, electronic, app and web magazine) as they start the lively trades of their contents on the magazine platform. In the area of contents uses, readers employ smart media technology effectively such as cloud computing, artificial intelligence and module individualization, making it possible for the virtuous cycle to remain in the relationship within communities, expert communities and creative users.

Synthesis of Fe-doped β-Ni(OH)2 microcrystals and their oxygen evolution reactions (Fe 도핑된 β-Ni(OH)2 마이크로결정 합성과 산소발생반응 특성)

  • Je Hong Park;Si Beom Yu;Seungwon Jeong;Byeong Jun Kim;Kang Min Kim;Jeong Ho Ryu
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.33 no.5
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    • pp.196-201
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    • 2023
  • In order to improve the efficiency of the water splitting system for hydrogen energy production, the high overvoltage in the electrochemical reaction caused by the catalyst in the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) must be reduced. Among them, transition metal-based compounds (hydroxide, sulfide, etc.) are attracting attention as catalyst materials to replace currently used precious metals such as platinum. In this study, Ni foam, an inexpensive metal porous material, was used as a support and β-Ni(OH)2 microcrystals were synthesized through a hydrothermal synthesis process. In addition, changes in the crystal morphology, crystal structure, and water splitting characteristics of β-Ni(OH)2 microcrystals synthesized by doping Fe to improve electrochemical properties were observed, and applicability as a catalyst in a commercial water electrolysis system was examined.

Effects of Mo co-doping into Fe doped β-Ni(OH)2 microcrystals for oxygen evolution reactions (Fe-doped β-Ni(OH)2의 산소발생반응 증가를 위한 Mo의 동시도핑효과)

  • Je Hong Park;Si Beom Yu;Tae Kwang An;Byeong Jun Kim;Jeong Ho Ryu
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.34 no.1
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    • pp.30-35
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    • 2024
  • In order to improve the efficiency of the water splitting system for hydrogen production, the high overvoltage in the electrochemical reaction caused by the catalyst in the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) must be reduced. Among them, transition metal-based compounds are attracting attention as catalyst materials that can replace precious metals such as platinum that are currently used. In this study, nickel foam, an inexpensive metal porous material, was used as a support, and Fe-doped β-Ni(OH)2 microcrystals were synthesized through a hydrothermal synthesis process. In addition, in order to improve OER properties, changes in the shape, crystal structure, and water splitting characteristics of Fe-Mo co-doped β-Ni(OH)2 microcrystals synthesized by co-doping with Mo were observed. The changes in the shape, crystal structure, and applicability as a catalyst for water splitting were examined.

A bilayer diffusion barrier of atomic layer deposited (ALD)-Ru/ALD-TaCN for direct plating of Cu

  • Kim, Soo-Hyun;Yim, Sung-Soo;Lee, Do-Joong;Kim, Ki-Su;Kim, Hyun-Mi;Kim, Ki-Bum;Sohn, Hyun-Chul
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.06a
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    • pp.239-240
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    • 2008
  • As semiconductor devices are scaled down for better performance and more functionality, the Cu-based interconnects suffer from the increase of the resistivity of the Cu wires. The resistivity increase, which is attributed to the electron scattering from grain boundaries and interfaces, needs to be addressed in order to further scale down semiconductor devices [1]. The increase in the resistivity of the interconnect can be alleviated by increasing the grain size of electroplating (EP)-Cu or by modifying the Cu surface [1]. Another possible solution is to maximize the portion of the EP-Cu volume in the vias or damascene structures with the conformal diffusion barrier and seed layer by optimizing their deposition processes during Cu interconnect fabrication, which are currently ionized physical vapor deposition (IPVD)-based Ta/TaN bilayer and IPVD-Cu, respectively. The use of in-situ etching, during IPVD of the barrier or the seed layer, has been effective in enlarging the trench volume where the Cu is filled, resulting in improved reliability and performance of the Cu-based interconnect. However, the application of IPVD technology is expected to be limited eventually because of poor sidewall step coverage and the narrow top part of the damascene structures. Recently, Ru has been suggested as a diffusion barrier that is compatible with the direct plating of Cu [2-3]. A single-layer diffusion barrier for the direct plating of Cu is desirable to optimize the resistance of the Cu interconnects because it eliminates the Cu-seed layer. However, previous studies have shown that the Ru by itself is not a suitable diffusion barrier for Cu metallization [4-6]. Thus, the diffusion barrier performance of the Ru film should be improved in order for it to be successfully incorporated as a seed layer/barrier layer for the direct plating of Cu. The improvement of its barrier performance, by modifying the Ru microstructure from columnar to amorphous (by incorporating the N into Ru during PVD), has been previously reported [7]. Another approach for improving the barrier performance of the Ru film is to use Ru as a just seed layer and combine it with superior materials to function as a diffusion barrier against the Cu. A RulTaN bilayer prepared by PVD has recently been suggested as a seed layer/diffusion barrier for Cu. This bilayer was stable between the Cu and Si after annealing at $700^{\circ}C$ for I min [8]. Although these reports dealt with the possible applications of Ru for Cu metallization, cases where the Ru film was prepared by atomic layer deposition (ALD) have not been identified. These are important because of ALD's excellent conformality. In this study, a bilayer diffusion barrier of Ru/TaCN prepared by ALD was investigated. As the addition of the third element into the transition metal nitride disrupts the crystal lattice and leads to the formation of a stable ternary amorphous material, as indicated by Nicolet [9], ALD-TaCN is expected to improve the diffusion barrier performance of the ALD-Ru against Cu. Ru was deposited by a sequential supply of bis(ethylcyclopentadienyl)ruthenium [Ru$(EtCp)_2$] and $NH_3$plasma and TaCN by a sequential supply of $(NEt_2)_3Ta=Nbu^t$ (tert-butylimido-trisdiethylamido-tantalum, TBTDET) and $H_2$ plasma. Sheet resistance measurements, X-ray diffractometry (XRD), and Auger electron spectroscopy (AES) analysis showed that the bilayer diffusion barriers of ALD-Ru (12 nm)/ALD-TaCN (2 nm) and ALD-Ru (4nm)/ALD-TaCN (2 nm) prevented the Cu diffusion up to annealing temperatures of 600 and $550^{\circ}C$ for 30 min, respectively. This is found to be due to the excellent diffusion barrier performance of the ALD-TaCN film against the Cu, due to it having an amorphous structure. A 5-nm-thick ALD-TaCN film was even stable up to annealing at $650^{\circ}C$ between Cu and Si. Transmission electron microscopy (TEM) investigation combined with energy dispersive spectroscopy (EDS) analysis revealed that the ALD-Ru/ALD-TaCN diffusion barrier failed by the Cu diffusion through the bilayer into the Si substrate. This is due to the ALD-TaCN interlayer preventing the interfacial reaction between the Ru and Si.

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Direct Bonding of Si(100)/NiSi/Si(100) Wafer Pairs Using Nickel Silicides with Silicidation Temperature (열처리 온도에 따른 니켈실리사이드 실리콘 기판쌍의 직접접합)

  • Song, O-Seong;An, Yeong-Suk;Lee, Yeong-Min;Yang, Cheol-Ung
    • Korean Journal of Materials Research
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    • v.11 no.7
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    • pp.556-561
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    • 2001
  • We prepared a new a SOS(silicon-on-silicide) wafer pair which is consisted of Si(100)/1000$\AA$-NiSi Si (100) layers. SOS can be employed in MEMS(micro- electronic-mechanical system) application due to low resistance of the NiSi layer. A thermally evaporated $1000\AA$-thick Ni/Si wafer and a clean Si wafer were pre-mated in the class 100 clean room, then annealed at $300~900^{\circ}C$ for 15hrs to induce silicidation reaction. SOS wafer pairs were investigated by a IR camera to measure bonded area and probed by a SEM(scanning electron microscope) and TEM(transmission electron microscope) to observe cross-sectional view of Si/NiSi. IR camera observation showed that the annealed SOS wafer pairs have over 52% bonded area in all temperature region except silicidation phase transition temperature. By probing cross-sectional view with SEM of magnification of 30,000, we found that $1000\AA$-thick uniform NiSi layer was formed at the center area of bonded wafers without void defects. However we observed debonded area at the edge area of wafers. Through TEM observation, we found that $10-20\AA$ thick amourphous layer formed between Si surface and NiSix near the counter part of SOS. This layer may be an oxide layer and lead to degradation of bonding. At the edge area of wafers, that amorphous layer was formed even to thickness of $1500\AA$ during annealing. Therefore, to increase bonding area of Si NiSi ∥ Si wafer pairs, we may lessen the amorphous layers.

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Electronic Structure of GaxIn1-xSbyAs1-y: Band Alignments Based on UTB Calculations (GaxIn1-xSbyAs1-y의 전자적 구조: UTB 방법에 의한 밴드정렬상태)

  • Shim, Kyu-Rhee
    • Journal of the Korean Vacuum Society
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    • v.20 no.6
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    • pp.461-467
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    • 2011
  • The valence band maximum and the conduction band miminum of GaAs, GaSb, InAs, and InSb (constituent binaries of the quaternaty alloy $Ga_xIn_{1-x}Sb_yAs_{1-y}$) are calculated by using TB analytical approach method. The band alignment types of their heterojunctions are determined directly from their relative position of band edges (VBM and CBM). For example, the GaAs/InAs, GaAs/InSb, and GaSb/InSb are in a type-I, the GaAs/GaSb in a type-II, and the GaSb/InAs and InSb/InAs in a type-III, respectively. The composition dependent VBM and CBM for the $Ga_xIn_{1-x}Sb_yAs_{1-y}$ alloy are obtained by using the univeral tight binding method. For the alloyed heterojunctions, the band alignments can be controlled by changing the composition which induce a band type transition. For the alloy $Ga_xIn_{1-x}Sb_yAs_{1-y}$ lattice mathced to GaSb, the type-II band alignment in the region of $x{\leq}0.15$ is changed to the type-III in the region of $x{\geq}0.81$. On the other hand, the alloy $Ga_xIn_{1-x}Sb_yAs_{1-y}$ lattice mathced to InAs has the type-II band alignment in the region of $x{\leq}0.15$ and the type-III band alignment in the region of $x{\geq}0.81$, respectively.