• Title/Summary/Keyword: ion pairs

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Pyro-synthesis of Na2FeP2O7 Nano-plates as Cathode for Sodium-ion Batteries with Long Cycle Stability

  • Song, Jinju;Yang, Juhyun;Alfaruqi, Muhammad Hilmy;Park, Wangeun;Park, Sohyun;Kim, Sungjin;Jo, Jeonggeun;Kim, Jaekook
    • Journal of the Korean Ceramic Society
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    • v.53 no.4
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    • pp.406-410
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    • 2016
  • Carbon-coated sodium iron pyrophosphate ($Na_2FeP_2O_7$) was prepared by a simple and low-cost pyro-synthesis route for further use as the cathode for Na-ion batteries. The X-ray diffraction (XRD) pattern of the sample annealed at $650^{\circ}C$ confirmed the pure triclinic phase of $Na_2FeP_2O_7$. Electron microscopy studies revealed a cross linked plate shape morphology of the $Na_2FeP_2O_7$ sample. When tested for application in Na-ion battery, the $Na_2FeP_2O_7$ cathode showed two redox pairs in the potential window of 2.0-4.0 V. The cathode registered initial discharge and charge capacities of 80.85 and 90 mAh/g, respectively, with good cycling performance.

FT-Raman Studies on Ionic Interactions in ${\pi}$-Complexes of Poly(hexamethylenevinylene) with Silver Salts

  • Kim Jong-Hak;Min Byoung-Ryul;Won Jong-Ok;Kang Yong-Soo
    • Macromolecular Research
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    • v.14 no.2
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    • pp.199-204
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    • 2006
  • Remarkably high and stable separation performance for olefin/paraffin mixtures was previously reported by facilitated olefin transport through ${\pi}$-complex membranes consisting of silver ions dissolved in poly(hexamethylenevinylene) (PHMV). In this study, the ${\pi}$-complex formation of $AgBF_4,\;AgClO_4\;and\;AgCF_{3}SO_3$ with PHMV and their ionic interactions were investigated. FT-Raman spectroscopy showed that the C=C stretching bands of PHMV shifted to a lower frequency upon incorporation of silver salt, but the degree of peak shift depended on the counter-anions of salt due to different complexation strengths. The symmetric stretching modes of anions indicated the presence of only free ions up to [C=C]:[Ag]=1:1, demonstrating the unusually high solubility of silver salt in PHMV. Above the solubility limit, the ion pairs and higher-order ionic aggregates started to form. The coordination number of silver ion for C=C of PHMV was in the order $AgBF_4$ > $AgClO_4$ > $AgCF_{3}SO_3$, but became similar at [C=C]:[Ag]=1:1. The different coordination number was interpreted in terms of the different transient crosslinks of silver cations in the complex, which may be related to both the interaction strength of the polymer/silver ion and the bulkiness of the counteranion.

Computer Simulaton of Defect Formation Behaviors of Crystal-Silicon on the Low Energy Arsenic Implantation by Molecular Dynamics (분자동력학적 방법에 의한 저 메너지 As 이온 주입에 따른 Si 기판의 결함 형성 거동에 대한 컴퓨터 모사 실험)

  • Chung, Dong-Seok;Park, Byung Do
    • Journal of the Korean Society for Heat Treatment
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    • v.13 no.4
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    • pp.259-264
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    • 2000
  • In this study, we quantitatively measure the ion ranges of arsenic with energies ranging from 10 KeV to 100 KeV, implanted at $3^{\circ}$, $9^{\circ}$ $15^{\circ}$ the (100) plane, and the damage created during ion implantation. To obtain detailed information of ion range and damage distributions in low energy region where elastic collisions dominate the slowing down process, molecular dynamics computer simulation was performed and compared to the existing results. The effects of implant energy and degree on damage generation are present. The number of vacancy were calculated from the deposited energy using Kinchin-Pease equation. In the energy range 10 keV-100 keV, simulations show that the number of Frenckel pairs produced by As-ion bimbardment is 9 and incident angle dependence of the vacancy was the same but defects were distributed at different depth.

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The Influence of Dielectric Constant on Ionic and Non-polar Interactions

  • Hwang, Kae-Jung;Nam, Ky-Youb;Kim, Jung-Sup;Cho, Kwang-Hwi;Kong, Seong-Gon;No, Kyoung-Tai
    • Bulletin of the Korean Chemical Society
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    • v.24 no.1
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    • pp.55-59
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    • 2003
  • This work is focused on analyzing ion-pair interactions and showing the effect of solvent induced inter-atomic attractions in various dielectric environments. To estimate the stability of ion-pairs, SCI-PCM ab initio MO calculations were carried out. We show that the solvent-induced attraction or ‘cavitation' energy of the ion-pair interactions in solution that arises mainly from the stabilization of the water molecules by the generation of an electrostatic field. In fact, even the strong electrostatic interaction characteristic of ion-pair interactions in the gas phase cannot overcome the destabilization or reorganization of the water molecules around solute cavities that arise from cancellation of the electrostatic field. The solvent environment, possibly supplemented by some specific solvent molecules, may help place the solute molecule in a cavity whose surroundings are characterized by an infinite polarizable dielectric medium. This behavior suggests that hydrophobic residues at a protein surface could easily contact the side chains of other nearby residues through the solvent environment, instead of by direct intra-molecular interactions.

Molecular analysis of c-terminus structure for elucidating the stabilization effect of site-specific immobilization

  • Baek, Seung-Pil;Yu, Yeong-Jae
    • 한국생물공학회:학술대회논문집
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    • 2001.11a
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    • pp.886-889
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    • 2001
  • C-terminus specific immobilization often results in a increased structural stability resistant to various denaturation factors. In order to elucidate the immobilization effect on the c-terminus in molecular level, we made over 200 protein data set from Protein Data Bank(PDB), analyzed c-terminus structure of each protein, and investigated the structural relationship with the stabilizing factors such as hydrogen bond, ion pairs, cation pi, disulfide bond, solvation free energy, surface area, flexibility and so on.

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Aggregation of Crystal Violet with Tetraphenylborate Anions in Aqueous Solutions

  • Lee, Beom-Gyu;Jung, Rae-Seok;Kim, Kang-Jin
    • Bulletin of the Korean Chemical Society
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    • v.10 no.2
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    • pp.148-151
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    • 1989
  • The hydrophobic interaction between tetraphenylborate (TPB$^-$) or tetrakis (4-fluorophenyl)borate (TFB$^-$) and crystal violet has been investigated in aqueous solutions by absorption spectrophotometry. Both of the anions promote the aggregation of the ion pairs formed between crystal violet and TPB$^-$ or TFB$^-$. When crystal violet and borate anion are nearly equimolar, insoluble floating aggregates can be observed. Based on the relative absorbance of H and J bands and on the effect of TX-100, TFB$^-$ is found to be more hydrophobic than TPB$^-$.

Metal-Ion Interactions with Sugars. The Crystal Structure of CaCl2-Fructose Complex

  • Guo, Jianyu;Lu, Yan;Whiting, Roger
    • Bulletin of the Korean Chemical Society
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    • v.33 no.6
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    • pp.2028-2030
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    • 2012
  • The single-crystal structure of $CaCl_2{\cdot}2C_6H_{12}O_6{\cdot}3H_2O$ was determined with Mr=525.34, a=16.054(7) ${\AA}$, b=7.864(4) ${\AA}$, c=10.909(5) ${\AA}$, ${\beta}=127.894(8)^{\circ}$, V=1086.9(9) ${\AA}^3$, C2, Z=2 and $R$=0.0227 for 1727 observed reflections. The fructose moiety of the complex exists as a ${\beta}$-D-pyranose. The calcium ion is surrounded by eight oxygen atoms, These are arranged in symmetry-related pairs derived from four sugar and two water molecules. Three nonvicinal hydroxyl groups of fructose are involved in calcium binding. All the hydroxyl groups and water molecules are involved in forming an extensive hydrogen-bond network.

Electrochemical Characteristics of Hybrid Capacitor and Pulse Performance of Hybrid Capacitor / Li-ion Battery (Hybrid Capacitor의 전기화학적 특성 및 Hybrid Capacitor / Li-ion Battery의 펄스 방전 특성)

  • Lee, Sun-Young;Kim, Ick-Jun;Moon, Seong-In;Kim, Hyun-Soo
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.18 no.12
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    • pp.1133-1138
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    • 2005
  • In this study, we have prepared, as the pluse power source, a commercially supplied Li-ion battery with a capacity of 700 mAh and AC resistivity of 60 md at 1 kHz and nonaqeous asymmetric hybrid capacitor composed of an activated carbon cathode and MCMB anode, and have examined the electrochemical characteristics of hybrid capacitor and the pulse performances of parallel connected hybrid capacitor/Li-ion battery source. The nonaqueous asymmetric hybrid capacitors constituted with each stack number of pairs composed of the cathode, the porous separator and the anode electrode were housed in Al-laminated film cell. The 10 stacked hybrid capacitor, which was charged and discharged at a constant current at 0.25 $mA/cm^2$ between 3 and 4.3 V, has exhibited the capacitance of 108F and the lowest equivalent series resistance was 32 $m{\Omega}$ at 1 kHz. On the other hand, the enhanced run time of Li-ion battery assisted by the hybrid capacitor was obtained with increasing of current density and pulse width in Pulse mode. The best improvement, $84\;\%$ for hybrid capacitor/Li-ion battery was obtained in the condition of a 7C-rate pulse (100 msec)/0.5C-rate standby/$10\;\%$ duty cycle.

Electrochemical Characteristics of Carbon/Carbon Hybrid Capacitor and Li-ion Battery/Hybrid Capacitor Combination (Carbon계 Hybrid Capacitor의 전기 화학적 기술 및 Li-ion Battery의 혼성 동력원 특성)

  • Lee, Sun-Young;Kim, Ick-Jun;Moon, Seong-In
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2005.07a
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    • pp.597-598
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    • 2005
  • Recently, the performance of portable electric equipment can often improved by a Li-ion battery assisted by a supercapacitor. A supercapacitor can provide high power density as well as a low resistance in the hybrid system. In this study, we have prepared, as the pluse power souce, a commercially supplied Li-ion battery with a capacity of 700mAh and AC resistivity of $60m\Omega$ at 1kHz and nonaqeous asymmetric hybrid capacitor composed of an activated carbon cathode and MCMB anode, and have examined the electrochemical characteristics of hybrid capacitor and the pulse performances of parallel connected battery/hybrid capacitor source. The nonaqueous asymmetric hybrid capacitor, the stacks of 10 pairs of the cathode, the porous separator and the anode electrode were housed in Al-laminated film cell. The hybrid capacitor, which was charged and discharged at a constant current at $0.25mA/cm^2$ between 3 and 4.3V, has exhibited the capacitance of 100F. And the equivalent series resistance was $32m\Omega$ at 1kHz. By combining a Li-ion battery and a hybrid capacitor, the pulse performance of battery can be improved 23% in run time under a pulse discharge of 7C-rate.

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Basic theory of Dielectric Relaxation Spectroscopy and Studies of Electrolyte Structure (유전체 이완 분광법의 원리 및 이를 이용한 전해액 미시구조 연구)

  • Koo, Bonhyeop;Hwang, Sunwook;Lee, Hochun
    • Journal of the Korean Electrochemical Society
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    • v.22 no.2
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    • pp.53-59
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    • 2019
  • To examine the solution structure of electrolytes, it is very important to understand ion-ion and ion-solvent interactions. In this review, we introduce the basic principle of dielectric relaxation spectroscopy (DRS) and studies of electrolyte structure. DRS is a type of impedance method, which measures the dielectric properties of electrolytes over a high frequency domain at levels of tens of GHz. Therefore, DRS provides information on the different polar chemical species present in the electrolyte, including the type and concentration of free solvents and ion pairs with dipole moments. The information of DRS is complementary to the information of conventional analytical techniques (Infrared/Raman spectroscopy, nuclear magnetic resonance (NMR), etc.) and thus enables a broad understanding of electrolyte structure.