• Title/Summary/Keyword: $Ru^{+3}

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OLED Dye를 찾기 위한 Ru(bpy)32+의 효율적인 에너지 계산

  • Jo, Yeong-Beom;Son, Mun-Gi;Sin, Seok-Min
    • Proceeding of EDISON Challenge
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    • 2014.03a
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    • pp.251-262
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    • 2014
  • 최근 유기 발광 다이오드(Organic Light Emitting Diodes; OLED)가 각광받고 있어 이를 개발하기 위한 좀 더 효율적이고 실용적인 OLED 구조의 예측이 필요해지고 있다. 본 연구는 가장 기초적인 OLED dye의 형태인 $Ru(bpy){_3}^{2+}$와 그와 유사한 구조의 발광 물질이 전기화학발광(ECL) 현상을 통해 방출하는 빛의 특성을 계산하는 것을 목적으로 한다. EDISON 화학 서버의 GAMESS 프로그램을 사용하여 $Ru(bpy){_3}^{2+}$와 유도체들의 바닥상태(ground state)와 첫 번째 들뜬 상태(first excited state)를 계산하였다. Basis set으로는 MINI와 3-21G 혹은 SBKJC를 사용하였다. 들뜬 상태 계산은 configuration interaction with single excitation(CIS)을 이용하여 단일항(singlet)과 삼중항(triplet) 상태에서 바닥과 들뜬 상태의 최적 구조에 대한 계산을 수행하였다. 다양한 방법으로 방출 파장을 계산한 결과를 바탕으로 $Ru(bpy){_3}^{2+}$와 다양한 유도체들의 에너지 계산에 어떤 방법이 효율적으로 적용될 수 있을지 탐색하였다. 같은 계산방법들이 중심 금속이 이리듐(Ir)인 분자에도 적용이 될 수 있을지 알아보기 위해 $lr(mppy)_3$에도 적용하였다. 본 연구를 통하여 얻어진 방식은 시간을 절약하고 더 효율적인 $Ru(bpy){_3}^{2+}$ 유도체 계산에도 사용할 수 있을 것이다.

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Surface Reaction of Ru Thin Films Etched in CF 4/O2 Gas Chemistry (CF4/O2 Gas Chemistry에 의해 식각된 Ru 박막의 표면 반응)

  • 임규태;김동표;김경태;김창일;최장현;송준태
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.15 no.12
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    • pp.1016-1020
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    • 2002
  • Ru thin films were etched using CF/$_4$O$_2$ plasma in an ICP (inductively coupled plasma etching) system. The maximum etch rate of Ru thin films was 168 nm/min at a CF$_4$/O$_2$ gas mixing ratio of 10 %. The selectivity of SiO$_2$ over Ru was 1.3. From the OES (optical emission spectroscopy) analysis, the optical emission intensity of the O radical had a maximum value at 10% CF$_4$ gas concentration and drcrease with further addition of CF4 gas, but etch slope was enhanced. From XPS (x-ray photoelectron spectroscopy) analysis, the surface of the etched Ru thin film in CF$_4$/O$_2$ chemistry shows Ru-F bonds by the chemical reaction of Ru and F. RuF$_{x}$ compounds were suggested as a surface passivation layer that reduces the chemical reactions between Ru and O radicals. From a FE-SEM (field emission scanning electron microscope) micrograph, we had an almost perpendicular taper angle of 89$^{\circ}$.>.

Chloro- and Hydrido Complexes of (Pentamethylcyclopentadienyl) bis(phosphine)ruthenium ((펜타메틸시클로펜타디에닐) 비스(포스핀)루테늄의 염화물과 수소화물 유도체)

  • Dong-Hwan Lee
    • Journal of the Korean Chemical Society
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    • v.36 no.2
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    • pp.248-254
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    • 1992
  • Bis(phosphine)ruthenium derivatives $({\eta}^5-C_5Me_5)RuCl(PR_3)_2(PR_3=PMe_3,\; PMe_2Ph,\;PEt_3,\;PMePh_2$, 1/2DPPE, 1/2DPPB) (2a${\sim}$2f) have been synthesized by the reaction of $[({\eta}^5-C_5Me_5)RuCl_2]_2$ (1) with excessive phosphine in ethanol. The reaction of complexes $({\eta}^5-C_5Me_5)Ru(PR_3)_2Cl\;with\;NaBH_4$ in ethanol gave the corresponding hydride complexes $({\eta}^5-C_5Me_5)Ru(PR_3)_2H (PR_3=PMe_3, PEt_3, PMePh_2$, 1/2 DPPE, 1/2DPPB) (3a${\sim}$3e). Chloride complexes (2a${\sim}$2f) and hydride complexes (3a${\sim}$3e) were isolated as crystals, which were characterized by IR, $^1H-NMR$ , and elemental analysis.

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Chemistry of Rethenium Hydridonitrosyl Complexes Containing Chelating Triphosphines II-Structures of $[RuH_2(NO)P_3]^+$ ($P_3$ : Chelating Triphosphines)

  • Ik Mo Lee;Devon W. Meek;Judith Gallucci
    • Bulletin of the Korean Chemical Society
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    • v.13 no.5
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    • pp.498-503
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    • 1992
  • The protonation of RuH(NO)(Cyttp) resulted in the formation of $[RuH_2(NO)(Cyttp)]^+$ which is characterized as a classical cis-dihydried complex. This complex is fluxional and the intramolecular process involving a molecular hydrogen complex is proposed. This mechanism was further supported by the reactivity of this complex toward neutral 2-electron ligands. On the other hand, it failed to detect the existence of $[RuH_2(NO)(etp)]^+$ probably due to instability of the complex but the crystal structure of $[Ru(PMe_3)(NO)(etp)]^+$ formed by the protonation of RuH(NO)(etp) followed by the addition of $PMe_3$ was determined to have a trigonal bipyramidal structure with a linear NO in the equatorial plane and a facial etp ligand. The crystals are monoclinic, space group P21/n, with unit cell dimensions a = 14.130(2), b = 21.026 (3), c = 14.760 (1) ${\AA}$, ${\beta}$ = 97.88 $(l)^{\circ}$ V = 4344 ${\AA}^3$, Z = 4, R = 0.046 and $R_w$ = 0.056 for the 4779 intensities with $F_o^2 > 3{\sigma}(F_0^2)$ and the 440 variables.

Steam reforming of biomass tar over Ni/Ru-x/Al2O3 catalysts (Ni/Ru-x/Al2O3 촉매를 이용한 바이오매스 타르 개질)

  • Yoon, Sang Jun;Oh, Kun Woong;Park, Seo Yoon;Kim, Yong Gu;Seo, Myung Won;Ra, Ho Won;Lee, Jae-Goo
    • 한국연소학회:학술대회논문집
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    • 2014.11a
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    • pp.355-356
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    • 2014
  • Catalytic steam reforming of tar produced from biomass gasification was conducted using several Ni-based catalysts. K and Mn were used as a promoter over $Ni/Ru/Al_2O_3$ catalyst. The pellet and monolith type catalysts were prepared and applied to lab and bench-scale biomass gasification system. The $Ni/Ru-K/Al_2O_3$ catalyst shown higher performance than $Ni/Ru-Mn/Al_2O_3$ catalyst at low temperature range.

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A Study for the Syndrome Differentiation of Retroverted Uterus Using Ultrasound (초음파 자궁형상진단을 이용한 자궁후굴증의 변증 진단 연구)

  • Hwang, Deok-Sang;Lee, Jae-Sung;Jeong, Eun-Jeong;Lee, Yoon-Jae;Lee, Kyung-Sub;Jang, Jun-Bock
    • The Journal of Korean Obstetrics and Gynecology
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    • v.25 no.3
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    • pp.85-94
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    • 2012
  • Objectives: We have studied the syndrome differentiation of ultrasound of retroverted uterus(RU) as the inspection in traditional Korean medicine. Methods: Eighty-four patients, who visited H clinic for infertility treatment, were recruited and evaluated by questionnaires and ultrasound, from April, 2012 to May, 2012. We used ultrasound(Logiq C3; GE Health care) for examination of RU. For statistics, we used Fisher's extract test to evaluate the RU and symptoms, and Chi-square test to evaluated the RU and syndrome differentiations, and Student T-test for the relationship between RU and each score of syndrome differentiation, using PASW Statistics(version 18.0.0) and GraphPad Prism(version 5.01). Results: 1. RU was correlated with moderate or severe dysmenorrhea and premenstrual lower abdominal pain. 2. In syndrome differentiation, blood stasis questionnaire was correlated with RU. 3. RU was related with dysmenorrhea, mass of low abdomen, pressure pain, clod of menstrual blood, dyspareunia. Conclusions: The ultrasound of RU might be related with the syndrome of blood stasis.

Steam Reforming of Tar Produced from Biomass Gasification Using Ni/Ru-X/Al2O3 (X=K or Mn) Catalyst (Ni/Ru-X/Al2O3 (X=K or Mn) 촉매를 이용한 바이오매스 가스화 타르의 수증기개질)

  • Oh, Gunung;Park, Seo Yoon;Lee, Jae-Goo;Kim, Yong Ku;Ra, Ho Won;Seo, Myung Won;Yoon, Sang Jun
    • Clean Technology
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    • v.22 no.1
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    • pp.53-61
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    • 2016
  • Steam reforming of tar produced from biomass gasification was conducted using several Ni-based catalysts. In labscale, the catalytic steam reforming of toluene which is a major component of biomass tar was studied. A fixed bed reactor was used at various temperatures of 400-800 ℃. Ru (0.6 wt%) and Mn or K (1 wt%) were applied as a promoter in Ni based catalysts. Generally, Ni/Ru-K/Al2O3 catalyst shows higher performance on steam reforming of toluene than Ni/Ru-Mn/Al2O3 catalyst. Used catalysts were analyzed by XRD and TGA to detect sintering and carbon deposition. Base on the lab-scale studies, the monolith and pellet type catalysts were tested in 1 ton/day scale biomass gasification system. Ni/Ru-K/Al2O3 monolith catalyst shows high tar reforming performance at high temperature. In addition, Ni/Ru-Mn/Al2O3 monolith catalyst was showed deactivation with operation time. Reforming performance of Ni/Ru-K/Al2O3 pellet catalyst which showed 66.7% tar conversion at 587 ℃ was compared to regenerated one. Overall, Ni/Ru-K/Al2O3 pellet catalyst shows higher stability and performance than other used catalysts.

Electrochemical Decolorization of a Rhodamine B using Dimensionally Stable Anode (불용성 전극을 이용한 Rhodamine B의 전기화학적 탈색)

  • Kim, Dong Seog;Park, Young Seek
    • Journal of Korean Society on Water Environment
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    • v.23 no.3
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    • pp.377-384
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    • 2007
  • This study has carried out a performance of dimensionally stable anode for the purpose of decolorization of Rhodamine B (RhB) in water. Seven kinds of 1, 2 and 3 component electrodes were prepared by plating and thermal deposition, which were coated by the oxides of Pt, Ru, Ir, Sn-Sb, Ir-Sn-Sb, Ru-Sn-Sb and Ru-Sn-Ti on Ti metal surface, respectively. Performance for RhB decolorization of the seven electrodes lay in: Ru-Sn-Ti/Ti ${\fallingdotseq}$ Ru-Sn-Sb/Ti > Ir-Sn-Sb/Ti > Sn-Sb/Ti > Ru/Ti > Ir/Ti > Pt/Ti. The effects of electrode area and distance, electrolyte type and concentration, current density and pH were investigated on the decolorization of RhB using Ru-Sn-Ti/Ti electrode. Decolorization of RhB was not influenced by electrode area and distance largely, however wattage was influenced by them. NaCl was superior to the decolorization of RhB than $Na_2SO_4$. Optimum NaCl dosage and current density were 0.5 g/L and $0.183A/cm^2$, respectively. The pH effect of decolorization of RhB was not significant within the range of 3-7.

Mid-Temperature Operation Characteristics of Commercial Reforming Catalysts: Comparison of Ru-Based and Ni-Based Catalyst (상용 개질촉매의 중온 영역 운전 특성: Ru 촉매와 Ni 촉매 비교)

  • KIM, YOUNGSANG;LEE, KANGHUN;LEE, DONGKEUN;LEE, YOUNGDUK;AHN, KOOKYOUNG
    • Transactions of the Korean hydrogen and new energy society
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    • v.32 no.3
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    • pp.149-155
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    • 2021
  • Most of the reformer experiments have been conducted only in high-temperature operation conditions above 700℃. However, to design high efficiency solid oxide fuel cell, it is necessary to test actual reaction performance in mid-temperature (550℃) operation areas. In order to study the operation characteristics and performance of commercial reforming catalysts, a reforming performance experiment was conducted on mid-temperature. The catalysts used in this study are Ni-based FCR-4 and Ru-based RuA, RuAL. Experiments were conducted with a Steam-to-carbon ratio of 2.0 to 3.0 under gas hourly space velocity (GHSV) 2,000 to 5,000 hr-1. As a result, RuA and RuAL catalysts showed similar gas composition to the equilibrium regardless of the reforming temperature. However, the FCR-4 catalyst showed a lower hydrogen yield compared to the equilibrium under high GHSV conditions.

Electrocatalytic activity of the bimetallic Pt-Ru catalysts doped TiO2-hollow sphere nanocomposites (Pt-Ru@TiO2-H 나노구조체촉매의 합성 및 전기화학적 특성평가)

  • Lee, In-Ho;Kwen, Hai-Doo;Choi, Seong-Ho
    • Analytical Science and Technology
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    • v.26 no.1
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    • pp.42-50
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    • 2013
  • This paper describes the electrocatalytic activity for the oxidation of small biomolecules on the surface of Pt-Ru nanoparticles supported by $TiO_2$-hollow sphere prepared for use in sensor applications or fuel cells. The $TiO_2$-hollow sphere supports were first prepared by sol-gel reaction of titanium tetraisopropoxide with poly(styrene-co-vinylphenylboronic acid), PSB used as a template. Pt-Ru nanoparticles were then deposited by chemical reduction of the $Pt^{4+}$ and $Ru^{3+}$ ions onto $TiO_2$-hollow sphere ($Pt-Ru@TiO_2-H$). The prepared $Pt-Ru@TiO_2-H$ nanocomposites were characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), and elemental analysis. The electrocatalytic efficiency of Pt-Ru nanoparticles was evaluated via ethanol, methanol, dopamine, ascorbic acid, formalin, and glucose oxidation. The cyclic voltammograms (CV) obtained during the oxidation studies revealed that the $Pt-Ru@TiO_2-H$ nanocomposites showed high electrocatalytic activity for the oxidation of biomolecules. As a result, the prepared Pt-Ru catalysts doped onto $TiO_2$-H sphere nanocomposites supports can be used for non-enzymatic biosensor or fuel cell anode electrode.