• Title/Summary/Keyword: 이온화에너지

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First-Principles Investigation of the Surface Properties of LiNiO2 as Cathode Material for Lithium-ion Batteries (제일원리계산을 이용한 리튬이차전지 양극활물질 LiNiO2의 표면 특성에 관한 연구)

  • Choi, Heesung;Lee, Maeng-Eun
    • Journal of the Korean Electrochemical Society
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    • v.16 no.3
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    • pp.169-176
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    • 2013
  • Solid state lithium oxide compounds of layered structure, which has high stability of structure, are mainly used as the cathode materials in lithium-ion batteries (LIBs). Recently, the investigation of Solid Electrolyte Interphase (SEI) between active materials and electrolyte has been focusing to improve the performance of lithium-ion batteries. For the investigation of the SEI, the study of surface properties of cathode materials and anode materials is also required in advance. $LiNiO_2$ and $LiCoO_2$ are very similar layered structure of cathode active materials and representative solid state lithium oxide compounds in LIBs. Various experimental and theoretical studies have been doing for $LiCoO_2$. The theoretical investigation of $LiNiO_2$ is not sufficient, however, even if experimental studies of $LiNiO_2$ are enough. In this study, the surface energies of nine facets of $LiNiO_2$ crystal facets were calculated by Density Functional Theory. In XRD data of $LiNiO_2$, (003), (104), (101), et al. facets are main surfaces in order. However, the results of calculation are different with XRD data. Thus, both (104) and (101) facets, which are energetically stable and measured in XRD, are mainly exposed in the surface of $LiNiO_2$ and it is expected that intercalation and de-intercalation of Li-ion will be affected by them.

Electrochemical Behavior of Cathode Catalyst Layers Prepared with Propylene Glycol-based Nafion Ionomer Dispersion for PEMFC (프로필렌글리콜에 분산된 나피온 이오노머로 제조된 공기극 촉매층의 연료전지 성능 특성 연구)

  • Woo, Seunghee;Yang, Tae-Hyun;Park, Seok-Hee;Yim, Sung-Dae
    • Korean Chemical Engineering Research
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    • v.57 no.4
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    • pp.512-518
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    • 2019
  • To develop a membrane electrode assembly (MEA) with lower Pt loading and higher performance in proton exchange membrane fuel cells (PEMFCs), it is an important research issue to understand interfacial structure of Pt/C catalyst and ionomer and design the catalyst layer structure. In this study, we prepared short-side-chain Nafion-based ionomer dispersion using propylene glycol (PG) as a solvent instead of water which is commonly used as a solvent for commercially available ionomers. Cathode catalyst layers with different ionomer content from 20 to 35 wt% were prepared using the ionomer dispersion for the fabrication of four different MEAs, and their fuel cell performance was evaluated. As the ionomer content increased to 35 wt%, the performance of the prepared MEAs increased proportionally, unlike the commercially available water-based ionomer, which exhibited an optimum at about 25 wt%. Small size micelles and slow evaporation of PG in the ionomer dispersion were effective in proton transfer by inducing the formation of a uniformly structured catalyst layer, but the low oxygen permeability problem of the PG-based ionomer film should be resolved to improve the MEA performance.

A Review on the Deposition/Dissolution of Lithium Metal Anodes through Analyzing Overpotential Behaviors (과전압 거동 분석을 통한 리튬 금속 음극의 전착/탈리 현상 이해)

  • Han, Jiwon;Jin, Dahee;Kim, Suhwan;Lee, Yong Min
    • Journal of the Korean Electrochemical Society
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    • v.25 no.1
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    • pp.1-12
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    • 2022
  • Lithium metal is the most promising anode for next-generation lithium-ion batteries due to its lowest reduction potential (-3.04 V vs. SHE) and high specific capacity (3860 mAh/g). However, the dendritic formation under high charging current density remains one of main technical barriers to be used for commercial rechargeable batteries. To address these issues, tremendous research to suppress lithium dendrite formation have been conducted through new electrolyte formulation, robust protection layer, shape-controlled lithium metal, separator modification, etc. However, Li/Li symmetric cell test is always a starting or essential step to demonstrate better lithium dendrite formation behavior with lower overpotential and longer cycle life without careful analysis. Thus, this review summarizes overpotential behaviors of Li/Li symmetric cells along with theoretical explanations like initial peaking or later arcing. Also, we categorize various overpotential data depending on research approaches and discuss them based on peaking and arcing behaviors. Thus, this review will be very helpful for researchers in lithium metal to analyze their overpotential behaviors.

Preparation of Polyacrylate-Based Non-Reinforced Anion Exchange Membranes via Photo-Crosslinking for Reverse Electrodialysis (역전기투석용 광가교형 폴리아크릴레이트계 음이온교환막 제조)

  • Tae Hoon Kim;Seok Hwan Yang;Jang Yong Lee
    • Membrane Journal
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    • v.34 no.1
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    • pp.70-78
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    • 2024
  • A photo-crosslinked anion exchange membrane (AEM) based on quaternary-aminated polyacrylates was developed for reverse electrodialysis (RED). Although reverse electrodialysis is a clean and renewable energy generation system, the low power output and high membrane cost are serious obstacles to its commercialization. Cross-linked AEMs without any polymer supporters were fabricated through photo-crosslinking between polymer-typed acrylates with anion conducting groups, in particular, polymer-typed acrylates were synthesized based on engineering plastic with outstanding mechanical and chemical property. The fabricated membranes showed outstanding physical, chemical, and electrochemical properties. The area resistance of the fabricated membranes (CQAPPOA-20, CQAPPOA-35, and CQAPPOA-50) were ~50% lower than that of AMV (2.6 Ω cm2). Moreover, the transport number of CQAPPOA-35 wase comparable to that of AMV, despite the thin thickness (40 ㎛) of the fabricated membranes. The RED stack with the CQAPPOA-35 membrane provided an excellent maximum power density of 2.327 W m-2 at a flow rate of 100 mL min-1, which is 15% higher than that (2.026 W m-2) of the RED stack with the AMV membrane. Considering easy fabrication process by UV photo-crosslinking and outstanding RED stack properties, the CQAPPOA-35 membrane is a promising candidate for REDs.

Macroporous Thick Tin Foil Negative Electrode via Chemical Etching for Lithium-ion Batteries (화학적 식각을 통해 제조한 리튬이온 이차전지용 고용량 다공성 주석후막 음극)

  • Kim, Hae Been;Lee, Pyung Woo;Lee, Dong Geun;Oh, Ji Seon;Ryu, Ji Heon
    • Journal of the Korean Electrochemical Society
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    • v.22 no.1
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    • pp.36-42
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    • 2019
  • A macroporous Sn thick film as a high capacity negative electrode for a lithium ion secondary battery was prepared by using a chemical etching method using nitric acid for a Sn film having a thickness of $52{\mu}m$. The porous Sn thick film greatly reduced the over-voltage for the alloying reaction with lithium by the increased reaction area. At the same time. The porous structure of active Sn film plays a part in the buffer and reduces the damage by the volume change during cycles. Since the porous Sn thick film electrode does not require the use of the binder and the conductive carbon black, it has substantially larger energy density. As the concentration of nitric acid in etching solution increased, the degree of the etching increased. The etching of the Sn film effectively proceeded with nitric acid of 3 M concentration or more. The porous Sn film could not be recovered because the most of Sn was eluted within 60 seconds by the rapid etching rate in the 5 M nitric acid. In the case of etching with 4 M nitric acid for 60 seconds, the appropriate porous Sn film was formed with 48.9% of weight loss and 40.3% of thickness change during chemical acid etching process. As the degree of etching of Sn film increased, the electrochemical activity and the reversible capacity for the lithium storage of the Sn film electrode were increased. The highest reversible specific capacity of 650 mAh/g was achieved at the etching condition with 4 M nitric acid. The porous Sn film electrode showed better cycle performance than the conventional electrode using a Sn powder.

Effect of DC bias on structure of hydrogenated amorphous silicon and microcrystalline silicon

  • 이윤정;주성재;임승현;윤의준
    • Proceedings of the Korean Vacuum Society Conference
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    • 2000.02a
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    • pp.84-84
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    • 2000
  • 수소화된 비정질 실리콘(a-Si:H)과 미세결정질 실리콘 ($\mu$c-Si:H)은 저온.건식 공정인 PECVD로 값싼 유리 기판을 사용하여 넓은 면적에 증착이 가능하다는 큰 장점으로 인해 광전소자(photovoltaic device)와 박막 트랜지스터(TFTs)등에 폭넓게 응용되어 왔으며 최근에는 nm 크기의 실리콘 결정(nc-Si)에서 가시광선 영역의 발광 현상이 발견됨에 따라 광소자로서의 특성을 제어하기 위해서는 성장 조건과 공정 변수에 따른 구조 변화에 대한 연구가 선행되어야 한다. 본 연구에서는 UHV-ECR-PECVD 법을 이용하여 H2로 희석된 SiH4로부터 a-Si:H과 $\mu$c-Si:H를 증착하였다. 그림 1은 SiH4 20sccm/H2 50sccm/25$0^{\circ}C$에서 기판의 DC bias를 변화시키면서 박막을 증착시킬 때 나타나는 박막의 구조 변화를 raman spectrum의 To phonon peak의 위치와 반가폭의 변화로 나타낸 것이다. 비정질 실리콘 박막은 DC bias를 증가시킴에 따라 무질서도가 증가하다가 어떤 critical DC bias에서 최대치를 이룬후 다시 질서도가 증가한다. 이온의 충격력에 의해 박막내에 응력이 축적되면 박막의 에너지 상태가 높아지고 이 축적된 응력이 ordering에 대한 에너지 장벽을 넘을 수 있을 만큼 커지게 되면 응력이 풀리면서 ordering이 가능해지는 것으로 생각된다. 그림 2는 수소 결합 형태의 변화이다. 박막의 무질서도가 증가할 경우 알려진 바와 같이 2000cm-1근처의 peak은 감소하고 2100cm-1 부근이 peak이 증가하는 현상을 보였다. 본 논문에서는 여러 공정 변수, 특히 DC bias에 따르는 박막의 구조 변화와 다른 성장 조건(온도, 유량비)이 critical DC bias나 결정화, 결정성 등에 미치는 영향에 대한 분석결과를 보고하고자 한다.등을 이용하여 광학적 밴드갭, 광흡수 계수, Tauc Plot, 그리고 파장대별 빛의 투과도의 변화를 분석하였으며 각 변수가 변화함에 따라 광학적 밴드갭의 변화를 정량적으로 조사함으로써 분자결합상태와 밴드갭과 광 흡수 계수간의상관관계를 규명하였고, 각 변수에 따른 표면의 조도를 확인하였다. 비정질 Si1-xCx 박막을 증착하여 특성을 분석한 결과 성장된 박막의 성장률은 Carbonfid의 증가에 따라 다른 성장특성을 보였고, Silcne(SiH4) 가스량의 감소와 함께 박막의 성장률이 둔화됨을 볼 수 있다. 또한 Silane 가스량이 적어지는 영역에서는 가스량의 감소에 의해 성장속도가 둔화됨을 볼 수 있다. 또한 Silane 가스량이 적어지는 영역에서는 가스량의 감소에 의해 성장속도가 줄어들어 성장률이 Silane가스량에 의해 지배됨을 볼 수 있다. UV-VIS spectrophotometer에 의한 비정질 SiC 박막의 투과도와 파장과의 관계에 있어 유리를 기판으로 사용했으므로 유리의투과도를 감안했으며, 유리에 대한 상대적인 비율 관계로 투과도를 나타냈었다. 또한 비저질 SiC 박막의 흡수계수는 Ellipsometry에 의해 측정된 Δ과 Ψ값을 이용하여 시뮬레이션한 결과로 비정질 SiC 박막의 두께를 이용하여 구하였다. 또한 Tauc Plot을 통해 박막의 optical band gap을 2.6~3.7eV로 조절할 수 있었다. 20$0^{\circ}C$이상으로 증가시켜도 광투과율은 큰 변화를 나타내지 않았다.부터 전분-지질복합제의 형성 촉진이 시사되었다.이것으로 인하여 호화억제에 의한 노화 방지효과가 기대되었지만 실제로 빵의 노화는 현저히 진행되었다. 이것은 quinua 대체량 증가에 따른 반죽의 안정성이 저하되어 버린 것으로 생각되어진다. 더욱이 lipase를 첨가하면 반죽이 분화하는 경향이 보여졌지만 첨가량 75ppm에 있어서 상당히 비용적의 증대가 보였다. 이것은 lipase의 가수분해에 의해

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Hydrogen Isotope Exchange Reaction in Electrical Discharge through D2/H2O System (전기방전하에서 D2/H2O 반응계의 수소 동위원소 교환반응)

  • Kim, H.J.;Park, Y.D.;Lee, W.M.
    • Journal of Hydrogen and New Energy
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    • v.9 no.2
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    • pp.77-84
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    • 1998
  • Hydrogen isotope exchange in mixtures of $H_2O/D_2$, $H_2O/D_2O$, or $D_2O/H_2$ can be facilitated under electrical discharge. For example, a simple DC corona discharge through the mixture creates a plasma in which the reactants are excited energetically. The reactants in such plasma, due to increase in population of excited quantum levels or due to production of radicals or ions, undergo very rapid chemical reactions even at ambient temperature. The isotope exchange reaction of hydrogen(H) and deuterium(D) produces the third kind of heavy water(HDO) and isotopic hydrogen gas(HD), as shown in $D_2+H_2O{\rightarrow}HD$ K=11.257(at $25^{\circ}C$) The reaction products can be detected with temporal resolution using the Fourier transform infrared(FTIR) absorption spectroscopy. Since $H_2O$, $D_2O$ and HDO are all infrared active with different absorption peaks, FTIR proves to be a useful tool for monitoring the reaction. Experimental results show that the electrical method is indeed a useful means to promote the reaction, showing a better efficiency than traditional catalytic methods.

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High-Resolution X-Ray Photoelectron Spectroscopy Study of a Sb2Te3 Thin Film with the Polycrystalline Phase (고해상도 엑스선 광전자 분광법을 이용한 다결정구조의 안티몬-테레니움 박막 연구)

  • Lee, Y.M.;Kim, K.;Shin, H.J.;Jung, M.C.;Qi, Y.
    • Journal of the Korean Vacuum Society
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    • v.21 no.6
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    • pp.348-353
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    • 2012
  • We investigated chemical states of a $Sb_2Te_3$ thin film with the polycrystalline phase by using high-resolution x-ray photoelectron spectroscopy with synchrotron radiation. The $Sb_2Te_3$ thin film was formed by sputtering. The rhombohedral phase was confirmed by x-ray diffraction. To remove the surface oxide, we performed $Ne^+$ ion sputtering for 1 hour with the beam energy of 1 kV and post-annealing at $100^{\circ}C$ for 5 min in ultra-high vacuum. We obtained the Te and Sb 4d core-levels spectra with the peaks at the binding energies of 40.4 and 33.0 eV, respectively. The full-width of half maximum of both the Te and Sb $4d_{5/2}$ core-levels is 0.9 eV. The Te and Sb core-levels only show a single chemical state, and we also confirmed the stoichiometry of approximately 2 : 3.

The Effect of Additives on the Performance of Aqueous Organic Redox Flow Battery Using Quinoxaline and Ferrocyanide Redox Couple (수계 유기 레독스 흐름 전지 성능에서의 첨가제 효과)

  • Chu, Cheonho;Lee, Wonmi;Kwon, Yongchai
    • Korean Chemical Engineering Research
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    • v.57 no.6
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    • pp.847-852
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    • 2019
  • In this study, the effect of additives on the performance of aqueous organic redox flow battery (AORFB) using quinoxaline and ferrocyanide as active materials in alkaline supporting electrolyte is investigated. Quinoxaline shows the lowest redox potential (-0.97 V) in KOH supporting electrolyte, while when quinoxaline and ferrocyanide are used as the target active materials, the cell voltage of this redox combination is 1.3 V. When the single cell tests of AORFBs using 0.1 M active materials in 1 M KCl supporting electrolyte and Nafion 117 membrane are implemented, it does not work properly because of the side reaction of quinoxaline. To reduce or prevent the side reaction of quinoxaline, the two types of additives are considered. They are the potassium sulfate as electrophile additive and potassium iodide as nucleophilie additive. Of them, when the single cell tests of AORFBs using potassium iodide as additive dissolved in quinoxaline solution are performed, the capacity loss rate is reduced to $0.21Ah{\cdot}L^{-1}per\;cycle$ and it is better than that of the single cell test of AORFB operated without additive ($0.29Ah{\cdot}L^{-1}per\;cycle$).

Characteristics and Parameters for Adsorption of Carbol Fuchsin Dye by Coal-based Activated Carbon: Kinetic and Thermodynamic (석탄계 활성탄에 의한 Carbol Fuchsin의 흡착 특성과 파라미터: 동력학 및 열역학)

  • Lee, Jong Jib
    • Applied Chemistry for Engineering
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    • v.32 no.3
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    • pp.283-289
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    • 2021
  • Adsorption characteristics of carbol fuchsin (CF) dye by coal-based activated carbon (CAC) were investigated using pH, initial concentration, temperature and contact time as adsorption variables. CF dissociates in water to have a cation, NH2+, which is bonded to the negatively charged surface of the activated carbon in the basic region by electrostatic attraction. Under the optimum condition of pH 11, 96.6% of the initial concentration was adsorbed. Isothermal adsorption behavior was analyzed using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich models. Langmuir's equation was the best fit for the experimental results. Therefore, the adsorption mechanism was expected to be adsorbed as a monolayer on the surface of activated carbon with a uniform energy distribution. From the evaluated Langmuir's dimensionless separation coefficients (RL = 0.503~0.672), it was found that CF can be effectively treated by activated carbon. The adsorption energies determined by Temkin and Dubinin-Radushkevich models were E = 15.31~7.12 J/mol and B = 0.223~0.365 kJ/mol, respectively. Therefore, the adsorption process was physical (E < 20 J/mol, B < 8 kJ/mol). The experimental result of adsorption kinetics fit better the pseudo second order model. In the adsorption reaction of CF dye to CAC, the negative free energy change increased as the temperature increased. It was found that the spontaneity also increased with increasing temperature. The positive enthalpy change (40.09 kJ/mol) indicated an endothermic reaction.