• 제목/요약/키워드: $Mn^{2+}$ ion

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제일원리 전산모사를 통한 리튬 이온 전지의 LiMn2O4 전극-전해질 계면 반응 분석 (First-principles Study on the Formation of Solid-Electrolyte Interphase on the LiMn2O4 Cathode in Li-Ion Batteries)

  • 최대현;강준희;한병찬
    • 한국표면공학회:학술대회논문집
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    • 한국표면공학회 2016년도 추계학술대회 논문집
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    • pp.97-97
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    • 2016
  • Development of advanced Li-ion battery cells with high durability is critical for safe operation, especially in applications to electric vehicles and portable electronic devices. Understanding fundamental mechanism on the formation of a solid-electrolyte interphase (SEI) layer, which plays a substantial role in the electrochemical stability of the Li-ion battery, in a cathode was rarely reported unlike in an anode. Using first-principles density functional theory (DFT) calculations and ab-initio molecular dynamic (AIMD) simulations we demonstrate atomic-level process on the generation of the SEI layer at the interface of a carbonate-based electrolyte and a spinel $LiMn_2O_4$ cathode. To accomplish the object we calculate the energy band alignment between the work function of the cathode and frontier orbitals of the electrolyte. We figure out that a proton abstraction from the carbonate-based electrolyte is a critical step for the initiation of an SEI layer formation. Our results can provide a design concept for stable Li-ion batteries by optimizing electrolytes to form proper SEI layers.

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Expression and Characterization of β-1,4-Galactosyltransferase from Neisseria meningitidis and Neisseria gonorrhoeae

  • Park, Jae-Eun;Lee, Ki-Young;Do, Su-Il;Lee, Sang-Soo
    • BMB Reports
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    • 제35권3호
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    • pp.330-336
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    • 2002
  • The lgtB genes that encode $\beta$-1,4-galactosyltransferases from Neisseria meningitidis ATCC 13102 and gonorrhoeae ATCC 31151 were isolated by a polymerase chain reaction using the pfu DNA polymerase. They were expressed under the control of lac and T7 promoters in Escherichia coli M15 and BL21 (DE3). Although the genes were efficiently expressed in E. coli M15 at $37^{\circ}C$ (33 kDa), most of the $\beta$-1,4-galactosyltransferases that were produced were insoluble and proteolysed into enzymatically inactive polypeptides that lacked C-terminal residues (29.5 kDa and 28 kDa) during the purification steps. When the temperature of the cell growth was lowered to $25^{\circ}C$, however, the solubility of the $\beta$-1,4-galactosyltransferases increased substantially. A stable N-terminal his-tagged recombinant enzyme preparation could be achieved with E. coli BL21 (DE3) that expressed lgtB. Therefore, the cloned $\beta$-1,4-galactosyltransferases were expressed under the control of the T7 promoter in E. coli BL21 (DE3), mostly to the soluble form at $25^{\circ}C$. The proteins were easily purified to homogeneity by column chromatography using Ni-NTA resin, and were found to be active. The galactosyltransferases exhibited pH optimum at 6.5-7.0, and had an essential requirement for the $Mn^{+2}$ ions for its action. The $Mg^{+2}$ and $Ca{+2}$ ions showed about half of the galactosyltransferase activities with the $Mn^{+2}$ ion. In the presence of the $Fe^{+2}$ ion, partial activation was observed with the $\beta$-1,4-galactosyltransferase from N. meningitidis(64% of the enzyme activity with the $Mn^{+2}$$Ni^{+2}$, $Zn^{+2}$, and $Cu^{+2}$ ions could not activate the $\beta$-1,4-galactosyltransferase activity. The inhibited enzyme activity with the $Ni^{+2}$ ion was partially recovered with the $Mn^{+2}$$Fe^{+2}$, $Zn^{+2}$, and $Cu^{+2}$ ions, the $Mn^{+2}$$\beta$-1,4-galactosyltransferase activity was 1.5-fold stimulated with the non-ionic detergent Triton X-100 (0.1-5%).

HoMnO3 박막의 강유전 특성의 결정상 의존성 (Dependence of Ferroelectric Properties on the Crystalline Phases of HoMnO3 Thin Film)

  • 김응수;강동호
    • 한국재료학회지
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    • 제16권6호
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    • pp.394-399
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    • 2006
  • Ferroelectric $HoMnO_3$ thin films were deposited on the Si(100) substrate at $700^{\circ}C$ for 2 hrs by metalorganic chemical vapor deposition (MOCVD) and post-annealed at 850oC by rapid thermal process (RTP). Electrical properties and crystalline phases of $HoMnO_3$ thin films were investigated as a function of postannealing time. Single phase of hexagonal symmetry with c-axis preferred orientation was obtained from $HoMnO_3$ thin films post-annealed at $850^{\circ}C$ for 5 min, while the c-axis preferred orientation was decreased with the increase of post-annealing time, and the thin films post-annealed at $850^{\circ}C$ for 15 min showed the mixture phases of hexagonal and orthorhombic symmetry. P-E (Polarization-Electric field) hysteresis loop of ferroelectric $HoMnO_3$ thin films was observed only for the single phase of hexagonal symmetry, but that was not observed for the mixture phases of the hexagonal and orthorhombic symmetry, which was discussed with the bond valence of Mn ion of crystalline phase. Leakage current density was dependent on the microstructure of thin films as well as the change of valence of Mn ion.

졸 코팅 법을 이용한 BaTiO3 분체의 첨가제 코팅 II - Mg, Ca, Mn 이 첨가된 BaTiO3 졸을 이용한 첨가제 코팅 공정 (Additive Coating of BaTiO3 Powder using Sol Coating Method II - Additive Coating Process using BaTiO3 Sol Added by Mg, Ca, Mn)

  • 신효순
    • 한국전기전자재료학회논문지
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    • 제17권9호
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    • pp.960-966
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    • 2004
  • On the bases of the results from "Additive Coating of BaTiO$_3$ Powder using Sol Coating Method I", experimental condition was defined. Representative additives for BaTiO$_3$, that is to say, Mg, Ca and Mn were experimented. The sources of the metal ion were used by organometal complex. As added it, the stability of BaTiO$_3$ sol was evaluated. Mg and Ca were stable, however, The solubility limit of Mn-ATH was 0.05 mol ratio in Mn-ATH/sol. The solubility limit of Mg ion in BaTiO$_3$ was lower than 2 mol%. From the x Ray diffraction patterns, lattice parameters were different with temperature and additives, because the solubility of metal ion was varied in BaTiO$_3$. The dielectric constant of BaTiO$_3$ powders which coated with the 1.5 mol% Mg and calcined at 1200$^{\circ}C$ was increased with 20%.

Rhizopus nigricans의 Steroid 전환 반응에 대한 이온의 변화 (Ion Effect on Steroid Bioconversion in Rhizopus nigricans)

  • 이정진;김말남
    • 한국균학회지
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    • 제21권1호
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    • pp.23-27
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    • 1993
  • Rhizopus nigricans에 의한 progesterone의 $11{\alpha}-hydroxylation$${5\alpha}-reduction$반응에 미치는 이온의 효과를 조사하였다. $Cu^{2+},\;Cd^{2+},\;Co^{2+},\;Mn^{2+},\;Zn^{2+},\;Fe^{2+},\;Mg^{2+},\;Fe^{3+}$$Na^+$$11{\alpha}-hydroxylation$ 반응의 활성을 저하시켰으나 $K^+$은 이 반응을 촉진시켰다. $11{\alpha}-hydroxyprogesterone$$5{\alpha}-reduction$시키는 효소는 $Fe^{2+},\;Mn^{2+},\;Mg^{2+},\;Co^{2+},\;Zn^{2+},\;Fe^{2+},\;K^+,\;Na^+$에 의하여 그 활성이 증가되었고 $Cd^{2+}$$Cu^{2+}$은 이 반응을 억제하였다. $11{\alpha}-hydroxylation$ 반응을 촉진하는데는 $10^{-3}\;M$$K^+$이 효과적이었으며 $5{\alpha}-reduction$반응을 엑제하기 위하여는 $10^{-4}\;M$$Cd^{2+}$이 적합하였다. R. nigricans는 세포내의 다효소체계에 의하여 progesterone이 $11\{alpha}-hydroxyprogesterone$으로 전환된 후 $11{\alpha}-hydroxy-allopregnane-3, 20-dione으로 $5{\alpha}-reduction$되므로 $10^{-3}\;M$$K^+$을 먼저 첨가하여 2시간 동안 progesterone 전환 반응을 실시한 후에 $10^{-4}\;M$$Cd^{2+}$을 첨가하였을 때 가장 높은 $11\{alpha}-hydroxyprogesterone$의 수득률을 얻을 수 있었다.

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Structural analysis and photoluminescent study of thin film rhombohedral zinc orthosilicate doped with manganese

  • Yoon, Kyung-Ho;Kim, Joo-Han
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2010년도 제39회 하계학술대회 초록집
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    • pp.114-114
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    • 2010
  • In this study, structural properties and photoluminescent characteristics of thin film rhombohedral zinc orthosilicate doped with manganese ($Zn_2SiO_4:Mn$) were investigated. The $Zn_2SiO_4:Mn$ films showed a pronounced absorption edge in the near ultraviolet wavelength region and a high optical transparency in the visible spectral range. The maximum transmittance reached 0.922 at 597 nm, which was very close to the transmittance of the fused quartz substrate alone (0.935). The $Zn_2SiO_4:Mn$ films were composed of rhombohedral polycrystalline grains with random crystallographic orientation. The broad-band photoluminescence emission peaked at around 525 nm was observed from the $Zn_2SiO_4:Mn$ films, which was ascribed to the radiative relaxation from the $^4T_1$ lowest excitation state to $^6A_1$ ground state of 3d5 electrons in divalent manganese ion. The excitation band exhibited a peak maximum at 259 nm in the near ultraviolet region, which was considered to be associated with the charge transfer transition of divalent Mn ion in the $Zn_2SiO_4$ system.

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$Sr(Zr, Ti)O_3$ 마이크로파 유전체에 첨가된 $Mn_2O_3, Y_2O_3$ 의 영향과 Mn의 산화상태 (Effects of $Mn_2O_3, Y_2O_3$ Additives and Valence State of Mn ion in $Sr(Zr, Ti)O_3$ Microwave Dielectrics)

  • 정하균;박도순;박윤창
    • 한국세라믹학회지
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    • 제34권6호
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    • pp.583-590
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    • 1997
  • The effects of Mn2O3 and Y2O3 additives on the microstructure and dielectric properties of Sr(Zr, Ti)O3 have been investigated. Powders with Sr(Zr1-xTix)O3(0$\leq$x$\leq$0.1) composition were prepared by the conventional solid state processing from commercial TiO2 and precipitation-processed ZrO2. The powders containing sintering additives of Mn2O3 and Y2O3 were compacted and then sintered at 1,55$0^{\circ}C$ for 4 h to get>97% relative density. Mn2O3 suppressed the grain growth and Y2O3 enhanced the density of sintered body. The oxidation state of Mn ions were determined by a chemical wet method and EPR spectroscopy. Mn ions were present as Mn2+ and Mn4+ in SrZrO3, while as Mn3+ and Mn4+ in Ti-substituted Sr(Zr, Ti)O3. With the substitution of Ti, the lattice parameters of SrZrO3 decreased and its dielectric constant increased with remarkable decrease in Q value. The dielectric constant of Sr(Zr, Ti)O3 was in the range of 30 to 40, Q values 1,200~5,400 at 6 GHz and temperature coefficient of resonant frequency -67~100 ppm/K.

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$LiMn_{2-y}M_yO_4$ 정극 활물질의 전기화학적 특성 - II. $LiMn_{2-y}M_yO_4$ (M=Zn, Mg)의 충방전 및 순환전위전류 특성 (The Electrochemical Characterization of$LiMn_{2-y}M_yO_4$ Cathode Material - II. Charge and Discharge Property and Cyclic Voltametry of $LiMn_{2-y}M_yO_4$ (M=Zn, Mg))

  • 정인성;김종욱;구할본;김형곤;손명모;박복기
    • 한국전기전자재료학회논문지
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    • 제14권4호
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    • pp.316-322
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    • 2001
  • Cathode materials $LiMn_{2-y}$$M_{y}$ $O_4$(M=Zn and Mg) were obtained by reacting the mixture of LiOH.$H_2O$, Mn $O_2$ and MgO ar ZnO at 80$0^{\circ}C$ for 36h in an air atmosphere. These materials showed an extended cycle life in lithium-anode cells working at room temperatue in a 3.0 to 4.3V potential window. Among these materials, LiM $n_{1.9}$M $g_{0.1}$ $O_4$ showed the best cycle performance in terms of the capacity and cycle life. The discharge capacities of the cathode for the Li/LiM $n_{1.9}$ $M_{0.1}$ $O_4$ cell at the 1st cycle and at the 70th cycle were about 120 and 105mAh/g, respectively. This cell capacity is retained by 88% after 70th cycle. In cyclic voltammetry measurement, all cells revealed tow oxidation peaks and reduction peaks. However, Li/$LiMn_{2-y}$$M_{y}$ $O_4$ cell substituted with Zn and Mg showed new reaction peak during reduction reaction.eaction.ion.ion.

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골격근 小胞體의 ATPase活性에 미치는 二價金屬이온의 영향 (Kinetic Studies on the Effects of Divalent Cations on the ATPase Activity of the Fragmented Sarcoplasmic Reticulum of Rabbit Skeletal Muscle)

  • Park, Young-Soon;Ha, Doo-Bong
    • 한국동물학회지
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    • 제23권3호
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    • pp.137-148
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    • 1980
  • 토끼 골격근 小胞體의 ATPase 活性에 미치는 $Hg^{2+}, Cu^{2+}, Pb^{2+}, Cd^{2+}, Mn^{2+}$ 등 2價 陽이온을 영향을 비교 측정하였다. 이들 陽이온은 $Mn^{2+}$을 제외하고 모두 이 酵素의 活性을 阻害하였다. $Mn^{2+}$은 低濃度 (12.5-100 $\mu$M)에서는 오히여 活性을 증가시켰고, 그 보다 高濃度에서는 극히 약하게 阻害하였다. $Mn^{2+}$을 제외한 위의 2價 陽이온들의 阻害龍은 $Hg^2$가 가장 컸고 (阻害係數 Ki = 10$\mu$M), rm 다음이 $Cu^{2+}$ (Ki = 30$\mu$M), $Pb^{2+}$ (Ki = 120$\mu$M), $Cd^{2+}$ (Ki = 320$\mu$M)의 순이었다. 위의 4종의 陽이온들의 ATPase에 대한 阻害作用을 可逆的 非競爭的 阻害로 판정되었다.

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Electrochemical Properties of 0.3Li2MnO3·0.7LiMn0.55Ni0.30Co0.15O2 Electrode Containing VGCF for Lithium Ion Battery

  • Kim, Jeong-Min;Jeong, Minchan;Jin, Bong-Soo;Kim, Hyun-Soo
    • Journal of Electrochemical Science and Technology
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    • 제5권1호
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    • pp.32-36
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    • 2014
  • The $0.3Li_2MnO_3{\cdot}0.7LiMn_{0.55}Ni_{0.30}Co_{0.15}O_2$ cathode material was prepared via a co-precipitation method. The vapor grown carbon fiber (VGCF) was used as a conductive material and its effects on electrochemical properties of the $0.3Li_2MnO_3{\cdot}0.7LiMn_{0.55}Ni_{0.30}Co_{0.15}O_2$ cathode material were investigated. From the XRD pattern, the typical complex layered structure was confirmed and a solid solution between $Li_2MnO_3$ and $LiMO_2$ (M = Ni, Co and Mn) was formed without any secondary phases. The VGCF was properly distributed between cathode materials and conductive sources by a FE-SEM. In voltage profiles, the electrode with VGCF showed higher discharge capacity than the pristine electrode. At a 5C rate, 146 mAh/g was obtained compared with 232 mAh/g at initial discharge in the electrode with VGCF. Furthermore, the impedance of the electrode with VGCF did not changed much around $9-10{\Omega}$ while the pristine electrode increased from 21.5${\Omega}$ to $46.3{\Omega}$ after the $30^{th}$ charge/discharge cycling.