• Title/Summary/Keyword: 함수족

Search Result 49, Processing Time 0.033 seconds

수소 발생 반응 촉매 개발: 원소 치환을 통한 MoS2 표면 최적화

  • Lee, Gyeong-Pung;Yu, Dong-Seon
    • Proceeding of EDISON Challenge
    • /
    • 2016.03a
    • /
    • pp.330-332
    • /
    • 2016
  • 수소 발생 반응 촉매는 주로 백금(Pt)족 물질로 만들어져왔으나, 그 높은 가격과 희귀성으로 인해 이를 대체할 촉매의 개발이 요구되고 있다. 그중에서 주목받는 물질이 판상 $MoS_2$인데, 순물질로써의 $MoS_2$는 오직 모서리 부분만이 촉매로 기능하며 표면은 안정하여 촉매로써 기능을 하지 못한다는 한계가 있었다. 따라서 $MoS_2$의 표면도 촉매로 기능하여 보다 효율적인 촉매가 될 수 있도록, 자연계에 비교적 풍부한 원소들로 Mo원자를 치환해 보고 평면 스트레인을 줌으로써 표면이 촉매로 기능할 수 있는 조건을 밀도 범함수 이론에 근거해 계산해 보았다. 그 결과, Ge로 치환되고 -10% 스트레인이 걸린 $MoS_2$의 표면이 촉매로 기능할 수 있는 조건을 만족시켰다. 한편 Ge로 치환된 샘플에 수소를 흡착시켰을 때, 치환된 원자와 수소 원자가 반발력을 나타내는 듯한 현상이 관찰되었다.

  • PDF

타원편광분석법을 이용한 $In_xAl_{1-x}P$ 박막의 광물성 연구

  • Byeon, Jun-Seok;Hwang, Sun-Yong;Kim, Tae-Jung;Kim, Yeong-Dong;Aspnes, D.E.;Chang, Y.C.;Yun, Jae-Jin;Lee, Eun-Hye;Bae, Min-Hwan;Song, Jin-Dong
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2013.02a
    • /
    • pp.423-423
    • /
    • 2013
  • 3~5 족 반도체 물질인 phosphorus 화합물 중 대표적인 InAlP 삼종화합물은 작은 굴절률, 큰 밴드갭, GaAs와 lattice 일치 때문에 큰 주목을 받고 있고, p-type high electron mobility transistors(p-HEMT), laser diodes 등의 고속 전자소자 및 광전 소자에 응용이 가능한 매우 중요한 물질이다. 최적의 소자 응용기술을 위해서는, 정확한 광물성 연구가 수행되어야 하지만 InxAl1-xP 화합물에 대한 유전율 함수 및 전자전이점 등의 연구는 미흡한 실정이다. 이에 본 연구에서는 1.5~6.0 eV 에너지 영역에서 각기 다른 In 조성비를 갖는 InxAl1-xP 화합물의 가유전율 함수 ${\varepsilon}={\varepsilon}_1+i{\varepsilon}_2$와 전자전이점 데이터를 보고한다. GaAs 기판 위에 molecular beam epitaxy (MBE)를 이용하여 InxAl1-xP (x=0.000, 0.186, 0.310, 0.475, 0.715, 0.831, 1.000) 박막을 성장하였고 타원편광분석기를 이용하여 유전율 함수를 측정하였다. 또한 실시간 화학적 에칭을 통하여 시료 표면에 자연산화막을 제거함으로써 순수한 InAlP의 유전율 함수를 측정할 수 있었고, 측정된 유전율 함수를 이차미분하여 In 조성비에 따른 전자전이점을 얻을 수 있었다. 얻어진 전자전이점 값을 이용하여 linear augmented Slater-type orbital method (LASTO) 를 통해 이론적 전자 밴드 구조 계산을 하였고, 이를 바탕으로 $E_0$, $E_1$, $E_2$ 전이점 지역의 여러 전자전이점($E_1$, $E_1+{\Delta}_1$, $E_0'$, $E_0'+{\Delta}_0'$, $E_2$, $E_2'$)의 특성을 정의할 수 있었고, $E_0'$$E_2$ 전이점의 에너지 값이 In 조성비가 증가함에 따라 서로 교차함을 발견할 수 있었다. 타원 편광 분석법을 이용한 유전율 함수 및 전자전이점 연구는 InAlP의 광학적 데이터베이스를 확보하는 성과와 더불어 새로운 디바이스 기술 및 광통신 산업에도 유용한 정보가 될 것이다.

  • PDF

Thermodynamic Parameters of Complexation of Lanthanides by L-proline (Lanthanides-L-proline 착물의 형성에 관한 열역학적 연구)

  • Choi Im-Yeon;Kim Young-Inn;Choi Sung-Nak;Hyun Myung-Ho
    • Journal of the Korean Chemical Society
    • /
    • v.37 no.1
    • /
    • pp.105-111
    • /
    • 1993
  • The stability constants for lanthanides complexes with optically active L-proline (1 : 1) were determined in aqueous solution in the ionic medium of 0.1 M $NaClO_4$ at 25$^{\circ}C$ using a pH titration method. The results show called "gadolinium break" between lighter and heavier lanthanides. The linear relation between the stability constant (log$\beta$1) and the pKa values of ligands indicates that L-proline acts as a bidentate ligand in the complexation. The thermodynamic parameters (${\Delta}H$ and ${\Delta}S$) were also determined using an enthalpy titration method at the same condition. The positive endothermic enthalpy change and positive entropy change clearly indicate that the driving force for the complexation is an entropy effect. The comparison of the thermodynamic parameters of L-proline complexes with anthranilate complexes supports the conclusion that the heterocyclic nitrogen atom and carboxylate of L-proline are involved in the chleate formation. The enthalpy values for L-proline are more positive than the ones for anthranilate complex. The difference in enthalpy change for the complex formation between L-proline complex and anthranilate complex is explained in terms of the basicity of the nitrogen donor atom in the ligand. The relatively large entropy change may be described by the extra dehydration related to the rigidity of L-proline ring.

  • PDF

Preparation and Characterizations of poly(arylene ether sulfone)/SiO2 Composite Membranes for Polymer Electrolyte Fuel Cell (고분자 전해질 연료전지(PEFC)용 poly(arylene ether sulfone)/SiO2 복합막의 제조 및 특성분석)

  • Shin, Mun-Sik;Kim, Da-Eun;Park, Jin-Soo
    • Membrane Journal
    • /
    • v.27 no.2
    • /
    • pp.182-188
    • /
    • 2017
  • Sulfonated poly(arylene ether sulfone) (SPAES)-3-mercaptopropyl silica gel (3MPTSG) composite membranes with improved oxidative stability were prepared for polymer electrolyte fuel cell application. It has been reported that ether part of main chain of aromatic hydrocarbon based membranes were weak to radical attack to decrease membrane durability. In this study, the hydrophilic inorganic particles were introduced by minimizing a decrease in ion conductivity and increasing an oxidative stability. The composite membranes were investigated in terms of ionic conductivity, ion exchange capacity (IEC), FT-IR, TGA and contact angle, etc. As a result, increasing amount of the 3MPTSG resulted in decrease in proton conductivities and water uptakes at 100% R.H. but enhanced thermal and oxidative stabilities.

다양한 환경 조건 하에서 ZnO:Al 투명전극의 열화특성에 관한 연구

  • Kim, Yun-Gi;Lee, Dong-Won;Jeon, Min-Seok;Kim, Yong-Nam
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2012.08a
    • /
    • pp.422-422
    • /
    • 2012
  • 투명전극 산화막은 태양전지, 평판 디스플레이 등의 투명전극과 같은 광전자 소자에 사용되고 있다. 투명 전도성 산화막으로서 ITO (Indium tin oxide)는 높은 투과도, 낮은 비저항, 높은 일함수 등의 장점을 가지고 있어서 그동안 널리 사용되어 왔다. 그러나 In의 희소성으로 인한 고가격 문제 때문에 이를 대체하기 위해 불순물을 도핑한 ZnO (Zinc oxide)에 관한 연구가 활발히 진행되어 왔다. ZnO의 전기전도도를 높이기 위해 일반적으로 Al, Ga, B와 같은 3족 원소가 ZnO의 n형 도펀트로 널리 사용된다. 그 중에서 Al은 반응성이 커서 박막 증착 중에 산화되기 쉬운 반면 낮은 생산단가, 우수한 전기적 및 광학적 특성을 보이기 때문에 투명 전극으로서 Al-doped ZnO (AZO)가 많이 이용되고 있다. 본 연구에서는 rf 마그네트론 스퍼터링 공정을 이용하여 glass 기판 위에 Al-doped ZnO (AZO) 투명 전도막을 증착하였고, 수명 및 신뢰성에 영향에 미치는 주요 인자로서 온도, 온도 사이클 및 습도에 따른 AZO 박막의 열화 특성에 대한 연구를 진행하였다. 또한, 온도 사이클, 고온 및 고온고습 환경에 장시간 노출된 AZO 박막들의 성능 저하 원인들을 미세구조 관찰, 전기적 및 광학적 특성 변화들을 연계하여 규명하고자 하였다.

  • PDF

Structural Analysis of Thin-Walled, Multi-Celled Composite Blades with Elliptic Cross-Sections (다중세포로 구성된 박벽 타원형 단면 복합재료 블레이드의 구조해석)

  • 박일주;정성남
    • Composites Research
    • /
    • v.17 no.4
    • /
    • pp.25-31
    • /
    • 2004
  • In this study, a refined beam analysis model has been developed for multi-celled composite blades with elliptic cross-sections. Reissner's semi-complimentary energy functional is introduced to describe the beam theory and also to deal with the mixed-nature of the formulation. The wail of elliptic sections is discretized into finite number of elements along the contour line and Gauss integration is applied to obtain the section properties. For each cell of the section, a total of four continuity conditions are used to impose proper constraints for the section. The theory is applied to single- and double-celled composite blades with elliptic cross-sections and is validated with detailed finite element analysis results.

Preparation of Sulfonated PolySEBS/PS Blending Films (술폰화된 PolySEBS/PS Blending 필름의 제조)

  • Jang, Suk-Yong;Han, Sien-Ho
    • Applied Chemistry for Engineering
    • /
    • v.19 no.2
    • /
    • pp.205-208
    • /
    • 2008
  • Sulfonated polySEBS and sulfonated PS were synthesized by sulfonation at the aromatic group of polySEBS and PS. Novel sulfonated polySEBS/sulfonated PS blending films for the ion exchange membrane of polymer electrolyte fuel cell were prepared from these sulfonated polymers. The proton conductivities of these blending films were varied in $10^{-2}{\sim}10^{-3}S/cm$ with the blending ratio of sulfonated polySEBS/sulfonated PS. Especially, the film prepared from the addition of the sulfonated PS (0.5 g) in the sulfonated polySEBS (10.0 g) has the best proton conductivity (0.07 S/cm) with ion exchange capacity (0.75 meq/g) and water uptake (25%).

Synthesis and Electrochemical Characteristics of Lantanium and Neodynium Metal Complexes (란탄늄 및 네오디늄 금속의 착물합성과 전기화학적 특성)

  • Oh, Je Jik
    • Analytical Science and Technology
    • /
    • v.6 no.1
    • /
    • pp.83-92
    • /
    • 1993
  • The electrochemical behaviors of lanthanide ion(La and Nd) and lanthanide complexes with 2, 2, 6, 6-tetramethyl-3, 5-heptanedione(THD), sym-hydroxydibenzo-16-crown-5(HD16C5) and sym-dibenzo-16-crown-5-oxyacetic acid(D16C5A) ligands in acton solution have been investigated by the use of cyclic voltammetry and direct current polarography. The peak potential and peak current, their dependency on the concentration, temperature, the reversibility of the eleotrode reactions are described. The reduction of the lanthanide ions and complexes in 0.05 M TEAP proceeded one-electron step in first step and one two-electron step in second step. These reduction step was irreversible and the reduction current was diffusion controlled. Macrovcyclic crown ethers, sym-hydroxydibenzo-16-crown-5(HD16C5) and sym-dibenzo-16-crown-5-oxyacetic acid(D16C5A), were prepared from 1, 5-bis-(2-hydroxyphenoxy)-3-oxapentane with epichlorohydrin. The voltammetric behaviors of Ln(III)-HD16C5 and Ln-D16C5A complexes in aceton solution have been investigated by the voltammetric method. The composition and stability constants of lanthanide complexes were determined.

  • PDF

Studies on the Complexes of Lanthanide ion with Multidentate Ligand (I). Determination of Thermodynamic Parameters with Solution Calorimetric Method in Nonaqueous Solvents (란탄족 원소의 여러자리 리간드 착물에 관한 연구 (제 1 보) 물아닌 용액에서 용액열량계에 의한 열역학적 함수결정)

  • Sam-Woo Kang;Won-Hae Koo;Soo-Min Lee;Chang Choo-Hwan;Moo-Yol Seo
    • Journal of the Korean Chemical Society
    • /
    • v.33 no.6
    • /
    • pp.588-595
    • /
    • 1989
  • Log K, ${\Delta}$H and ${\Delta}$S for the complexation of $La^{3+},\;Ce^{3+}$ and $Eu^{3+}$with various multidentate ligand containing crown ether, diaza crown ether and diamine ether have been determined in methanol and acetonitril solutions at $25^{\circ}C$ by solution calorimetric titration method. The greater stability constant of $La^{3+}$-15C5 than those of 18C6 diaza [2.2] in methanol are discussed in terms of the size of metal ion and the ligand cavity and of metal ion solvation. The stabilities of $Ce^{3+}$ and $La^{3+}$ ion complexes with a various multidentate ligand in acetonitril are in the order of (diamine ether)<18C6<15C5$Ce^{3+}$, $La^{3+}$ and $Eu^{3+}$-diaza [2.2] complexes in acetonitril are increased with the following order: $Eu^{3+}$ < $La^{3+}$ < $Ce^{3+}$, that is increasing order of the optimum size and of the charge density of metal ion.

  • PDF

Computational Analysis for a Molten-salt Electrowinner with Liquid Cadmium Cathode (액체 카드뮴 음극을 사용한 용융염 전해제련로 전산해석)

  • Kim, Kwang-Rag;Jung, Young-Joo;Paek, Seung-Woo;Kim, Ji-Yong;Kwon, Sang-Woon;Yoon, Dal-Seong;Kim, Si-Hyung;Shim, Jun-Bo;Kim, Jung-Gug;Ahn, Do-Hee;Lee, Han-Soo
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
    • /
    • v.8 no.1
    • /
    • pp.1-7
    • /
    • 2010
  • In the present work, an electrowinning process in the LiCl-KCl/Cd system is considered to model and analyze the electrotransport of the actinide and rare-earth elements. A simple dynamic modeling of this process was performed by taking into account the material balances and diffusion-controlled electrochemical reactions in a diffusion boundary layer at an electrode interface between the molten salt electrolyte and liquid cadmium cathode. The proposed modeling approach was based on the half-cell reduction reactions of metal chloride occurring on the cathode. This model demonstrated a capability for the prediction of the concentration behaviors, a faradic current of each element and an electrochemical potential as function of the time up to the corresponding electrotransport satisfying a given applied current based on a galvanostatic electrolysis. The results of selected case studies including five elements (U, Pu, Am, La, Nd) system are shown, and a preliminary simulation is carried out to show how the model can be used to understand the electrochemical characteristics and provide better information for developing an advanced electrowinner.