• Title/Summary/Keyword: 4d 전이금속

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Strain에 의한 monolayer와 bulk MX2(M = Zr, Nb, Mo; X = S, Se, Te)의 band structure 특징 분석

  • Mun, Chan-Mi;Seol, Seo-Eun;Cho, Eunsoo
    • Proceeding of EDISON Challenge
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    • 2017.03a
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    • pp.441-447
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    • 2017
  • 본 논문에서는 다양한 원소 조합을 통한 다양한 특성과 2D 구조의 형성이 가능한 물질로서 최근 많은 응용에 활용되고 있는 TMD물질에 대하여 strain 엔지니어링 방법을 탐색하고자 하였다. 에디슨 나노물리의 LCAO 기반 DFT 전자구조계산 SW를 이용해 4, 5, 6족의 TMD물질($MX_2$, M = Zr, Nb, Mo; X = S, Se, Te)의 monolayer, bulk 상태에 strain을 가했을 때 전자 구조의 변화를 계산하였다. Band gap 크기, 전자의 effective mass의 변화, direct-indirect gap transition 등을 전이금속의 종류에 따라 분류하여 분석할 수 있었다.

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Applications of metal-semiconductor phase transition in 2D layered transition metal dichalcogenides (2차원 층상구조 전이금속칼코젠의 반도체-도체 구조상전이 기반 응용 기술)

  • Cho, Suyeon;Kim, Sera;Seok, Jinbong;Yang, Heejun
    • Vacuum Magazine
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    • v.3 no.1
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    • pp.4-8
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    • 2016
  • Motivated by two dimensional graphene, layered transition metal dichalcogenides (TMDs) have attracted scientific interests by their diverse electronic, optical and catalytic properties. In particular, group 6 TMDs such as $MoS_2$ and $MoTe_2$ have polymorphs (with metallic octahedral and semiconducting hexagonal phases) which are not present in graphene. Here, we introduce a new concept in 2D materials' studies, structural phase transition, with group 6 TMDs and its current research trend and applications for electric device and electrochemical catalyst.

Calculation of the Dipole Moments for Transition Metal Complexes by Valence Bond Method (I). Calculation of the Dipole Moments for Octahedral $[M(III)O_3S_3]$ Type Complexes [M(III) = V(III), Cr(III), Mn(III), Fe(III), Co(III), Ru(III), Rh(III) and Os(III)] (원자가 결합법에 의한 전이원소 착물에 대한 쌍극자모멘트의 계산 (제1보). 팔면체 $[M(III)O_3S_3]$ 형태 착물의 쌍극자모멘트의 계산 [M(III) = V(III), Cr(III), Mn(III), Fe(III), Co(III), Ru(III), Rh(III) 및 Os(III)])

  • Sangwoon Ahn;Jeoung Soo Ko
    • Journal of the Korean Chemical Society
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    • v.23 no.4
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    • pp.198-205
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    • 1979
  • A valence bond method of calculation of the dipole moments for octahedral $(M(III)0_3S_3)$ type complexes are developed, using $d^2sp^3 $hybrid orbitals of the central metal ions and the single basis set orbital of ligands. (M (III) =V (III), Cr (III), Mn (III), Fe (III), Co (III), Ru (III), Rh (III) and OS (III)). In this method the mixing coefficient of the valence basis sets for the central metal ion with the appropriate ligand orbitals is not required to be the same, differently from the molecular orbital method. The valence bond method is much more easier to calculate the dipole moments for octahedral complexes than the approximate molecular orbital method and the calculated results are also in the range of the experimental vaues.

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Rare-Earth Metal Complex-Functionalized Mesoporous Silica for a Potential UV Sensor (잠재적인 UV 센서를 위한 희토류 금속착물이 기능화된 메조다공성 실리카)

  • Sung Soo Park;Mi-Ra Kim;Weontae Oh;Yedam Kim;Yeeun Lee;Youngeon Lee;Kangbeom Ha;Dojun Jung
    • Journal of Adhesion and Interface
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    • v.24 no.4
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    • pp.136-142
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    • 2023
  • In this study, TEOS was used as a silica source, and a triblock copolymer (P123) was used as a template to produce mesoporous silica with a well-ordered hexagonal mesopore array through a self-assembly method and hydrothermal process under acidic condition. (Surfactant-extracted SBA-15). Surfactant-extracted SBA-15 showed the particle shape of a short rod with a size of approximately 980 nm. The surface area and pore diameter were 730 m2g-1 and 70.8 Å, respectively. Meanwhile, aminosilane (3-aminopropyltriethoxysilane, APTES) was grafted into the mesopores using a post-synthesis method. Mesoporous silica (APTES-SBA-15) modified with aminosilane had a well-ordered pore structure (p6mm) and well-maintained the particle shape of short rods. The surface area and pore diameter of APTES-SBA-15 decreased to 350 m2g-1 and 60.7 Å, respectively. APTES-modified mesoporous silica was treated with a solution of rare earth metal ions (Eu3+, Tb3+) to synthesize a mesoporous silica material in which rare earth metal complexes were introduced into the mesopores. (Eu/APTES-SBA-15, Tb/APTES-SBA-15) These materials exhibited characteristic photoluminescence spectra by λex=250 nm. (5D47F5 (543.5 nm), 5D47F4 (583.5 nm), 5D47F3 (620.2 nm) transitions for Tb/APTES-SBA-15; 5D07F0 (577.7 nm), 5D07F1 (592.0 nm), 5D07F2 (614.9 nm), 5D07F3 (650.3 nm) and 5D07F4 (698.5 nm) transitions for Eu/APTES-SBA-15)

Synthesis and Characterization of Metal Complex Oxo Vanadium(Ⅳ) Complexes with Derivatives of Salicylaldoximes (옥심계 금속착물의 합성과 그 물성에 관한 연구 치환 살리실알데히드옥심의 바나듐(Ⅳ) 착물(1))

  • Lee, Kwang;Lee, Won Sik
    • Journal of the Korean Chemical Society
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    • v.39 no.8
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    • pp.611-616
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    • 1995
  • Oxovanadium(IV) complexes with salicylaldoxime, o-vanilline oxime, 2-hydroxy-4-methoxybenzaldoxime, 2-hydroxy-5-methoxybenzaldoxime and 2-hydroxy-5-nitrobenzaldoxime were synthesized. The complexes have been characterized by elemental analysis, electric conductivity measurement, infrared spectrometry, electronic spectrometry, mass spectrometry, and thermal analysis. The results of elemental analysis were well coincided with the theoretical values. The values of molar conductance of the complexes in DMF implicated that the complexes were non-electrolyte. The characteristic stretching frequency of V=O appeared strong band in the range of $980{\pm}20\;cm^{-1}.$ All the complexes showed two d-d transition in visible spectra and two charge transfer transitions in ultraviolet spectra. Results of mass spectrometry of $VO(sal)_2\;and\;VO(van)_2$ indicated two peaks corresponding to vanadium containing ion(I) of 1 : 2(metal to ligand) chelate and a fragment ion(II) of 1 : 1 chelate due to loss of ligand radical from ion(I). The thermal analysis showed the endothermic peak due to the thermal decomposition.

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A Study on Indirect-Direct Bandgap Structures of 2D-layered Transition Metal Dichalcogenides by Laser Etching (2차원 층상 구조 전이금속 칼코겐화합물의 레이저 식각에 의한 직접-간접 띠간격 구조 연구)

  • Moon, Eun-A;Ko, Pil-Ju
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.29 no.9
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    • pp.576-580
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    • 2016
  • Single-layered transition metal dichalcogenides (TMDs) exhibit more interesting physical properties than those of bulk TMDs owing to the indirect to direct bandgap transition occurring due to quantum confinement. In this research, we demonstrate that layer-by-layer laser etching of molybdenum diselenide ($MoSe_2$) flakes could be controlled by varying the parameters employed in laser irradiation (time, intensity, interval, etc.). We observed a dramatic increase in the photoluminescence (PL) intensity (1.54 eV peak) after etching the samples, indicating that the removal of several layers of $MoSe_2$ led to a change from indirect to direct bandgap. The laser-etched $MoSe_2$ exhibited the single $MoSe_2$ Raman vibration modes at ${\sim}239.4cm^{-1}$ and ${\sim}295cm^{-1}$, associated to out-of-plane $A_{1g}$ and in-plane ${E^1}_{2g}$ Raman modes, respectively. These results indicate that controlling the number of $MoSe_2$ layers by laser etching method could be employed for optimizing the performance of nano-electronic devices.

Purification and Characterization of Phospholipase D from Actinomycetes KF923. (방선균 KE923이 생산하는 Phospholipase D의 정제 및 특성)

  • 곽보연;윤석후;김창진;손동화
    • Microbiology and Biotechnology Letters
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    • v.31 no.4
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    • pp.389-394
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    • 2003
  • In order to screen microorganisms producing phopholipase D (PLD) had high transphosphatidylation activity, about 1,000 Actinomycetes strains were isolated from the 63 soil samples, collected over 6 local area in Korea. When the hydrolytic activity in the supernatant was determined, 131 strains produced PLD more than 0.3 U/ml. Among 131 culture broths tested, 23 ones had transphosphatidylation activity higher than 20% and finally one strain (Actinomycetes KF 923), which had highest hydrolytic and transphophadylation activity, was selected. Actinomycetes KF923 showed the highest hydrolytic activity (13 U/ml) and phosphatidylation activity (95%) after 48 h fermentation using the P medium (yeast extract 1%, peptone 1%, glucose 1.5%, glycerol 1%, $CaCo_3$ 0.4%, pH 7.2). PLD was purified from the culture broth of Actinomycetes KF923 and the specific activity of purified PLD was 567 U/mg. The molecular weight of PLD was about 55 kD and the optimum pH and temperature were 6.0 and $60^{\circ}C$, respectively. The stability of PLD toward pH and temperature were high around pH 8.0 and below $40^{\circ}C$. Special metal ions were not necessary to the PLD activity.

Purification and Characterization of Phospholipase D from Actionmycetes KF923 (방선균 KF923이 생산하는 Phospholipase D의 정제 및 특성)

  • 곽보연;윤석후;김창진;손동화
    • Microbiology and Biotechnology Letters
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    • v.32 no.1
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    • pp.78-83
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    • 2004
  • In order to screen microorganisms producing phopholipase D (PLD) had high transphosphatidylation activity, about 1,000 Actinomycetes strains were isolated from the 63 soil samples, collected over 6 local area in Korea. When the hydrolytic activity in the supernatant was determined, 131 strains produced PLD more than 0.3U/$m\ell$. Among 131 culture broths tested, 23 ones had transphosphatidylation activity higher than 20% and finally one strain (Actinomycetes KF923), which had highest hydrolytic and transphophadylation activity, was selected. Actinomycetes KF923 showed the highest hydrolytic activity (13U/$m\ell$) and phosphatidylation activity (95%) after 48 h fermentation using the P medium (yeast extract 1%, peptone 1%, glucose 1.5%, glycerol 1%, $CaCO_3$ 0.4%, pH 7.2). PLD was purified from the culture broth of Actinomycetes KF923 and the specific activity of purified PLD was 567U/mg. The molecular weight of PLD was about 55kD and the optimum pH and temperature were pH 6.0 and $60^{\circ}C$, respectively. The stability of PLD toward pH and temperature were high around pH 8.0 and below $40^{\circ}C$ Special metal ions were not necessary to the PLD activity.

Luminescence Studies of Tb(Ⅲ) Complexes with Some Aminocarboxylate Ligands (Tb(Ⅲ)과 몇가지 아미노 카르복실 리간드 간의 착물에 대한 루미네센스 연구)

  • Kim, Dong Cheul;Bae, Jun Hyun;Kim, Youn Do;Kang, Jun Gil
    • Journal of the Korean Chemical Society
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    • v.41 no.11
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    • pp.581-585
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    • 1997
  • The luminescence spectra of Tb(Ⅲ) complexes have been investigated as a function of molar metal-to-ligand ratio and pH. The ligands used in this study are iminodiacetate (IDA) and methyliminodiacetate (MIDA). The 549 nm emission band, most sensitive to the coordination environment among the observed bands, is monitored to reveal the optimum condition for $TbL^{3-}_3$ complex formation in aqueous state.

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Bio-inspired Cr2O3 and Co3O4 Nanoparticles Loaded Electrospun WO3 Nanofiber Chemical Sensor for Early Diagnosis of Halitosis (고분산성 Cr2O3 및 Co3O4 전이금속 나노입자 촉매가 기능화된 다공성 WO3 나노섬유를 이용한 구취진단용 화학센서)

  • Jang, Ji-Soo;Kim, Sang-Joon;Choi, Seon-Jin;Koo, Won-Tae;Kim, Il-Doo
    • Journal of Sensor Science and Technology
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    • v.25 no.3
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    • pp.223-228
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    • 2016
  • In this work, we prepared porous WO3 nanofibers (NFs) functionalized by bio-inspired catalytic $Cr_2O_3$ and $Co_3O_4$ nanoparticles as highly sensitive and selective $H_2S$ gas sensing layers. Highly porous 3-dimensional (3D) NFs networks decorated by well-dispersed catalyst NPs exhibited superior $H_2S$ gas response ($R_{air}/R_{gas}$ = 46 at 5 ppm) in high humidity environment (95 %RH). In particular, the sensors showed outstanding $H_2S$ selectivity against other interfering analytes (such as acetone, toluene, CO, $H_2$, ethanol). Exhaled breath sensors using $Cr_2O_3$ and $Co_3O_4$ catalysts-loaded $WO_3$ NFs are highly promising for the accurate detection of halitosis.