• Title/Summary/Keyword: Cr atoms

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The Crystal Structure of Tris(ethylenediamine)nickel(II)-dichromate, $[Ni(C_2N_2H_8)_3]\cdotCr_2O_7$ ($[Ni(C_2N_2H_8)_3]\cdotCr_2O_7$의 결정구조)

  • Kim, Se-Hwan;Kim, Seung-Bin;Nam, Gung-Hae
    • Korean Journal of Crystallography
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    • v.7 no.1
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    • pp.36-43
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    • 1996
  • The crystal structure Tris(ethylenediamine)nickel(II)Dichromate has been determined by X-ray crystallography. Crystal data: a=8.268(2), b=13.865(2), c=14.921(2)Å, γ=102.04(2)°, V=1672.9(5)Å3, Z=4, Monocline, P21/b (space group No.=14), Dcalc=1.806 gcm-3, μ=24.05 cm-0.1. The intensity data were collected with Mo-Kα radiation(λ=0.7107Å) on an automatic four-circle diffractometer with a graphite monochromator. The structure was solved by Patterson method and refined by full matrix least-square methods using unit weights. The final R and S values were R=0.045, Rw=0.051, Rall=0.059 and S=2.171for 2248 observed reflections. The two carbon atoms of a ring of Ni(en)-ion were split into crossed four atoms. In consideration of α- and β-angles of two rings of a disordered ethylenediamine of Nien3-ion and the hydrogen bonds between Ni(en)3-cation and Cr2O7-anion, the configuration of Ni(en)3-ion is assumed to be disordered with Λδδδ and Λδδλ.

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Phase Changes during High Temperature Gas Nitriding of Nb Alloyed STS 444 Ferritic Stainless steel (Nb이 첨가된 STS 444 페라이트계 스테인리스강의 고온질화 열처리시 조직변화)

  • Kong, J.H.;Yoo, D.K.;Lee, H.W.;Kim, Y.H.;Sung, J.H.
    • Journal of the Korean Society for Heat Treatment
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    • v.20 no.6
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    • pp.323-328
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    • 2007
  • This study has been investigated the effect of high temperature gas nitriding (HTGN) heat treatment of STS 444 (18Cr-0.01Ni-0.01C-0.2Nb) ferritic stainless steel in an atmosphere of nitrogen gas at the temperature range between $1050^{\circ}C\;and\;1150^{\circ}C$. The surface layer was changed into martensite and austenite with the nitrides of NbCrN by HTGN treatment. Due to the precipitation of nitrides and matrensite formation, the hardness of the surface layer showed $400Hv{\sim}530Hv$. The nitrogen concentration of the surface layer appeared as 0.05%, 0.12% and 0.92%, respectively, at $1050^{\circ}C,\;1100^{\circ}C\;and\;1150^{\circ}C$. When the nitrogen is permeated from surface to interior, Nb and Cr, which have strong affinities with nitrogen, also move from interior to surface. Therefore it is considered that this counter-current of atoms promotes the formation of NbCrN at the surface layer.

Electrochemical Characteristics of Cr Added Li4Ti5O12 Prepared by Sol-gel Method (졸-겔법으로 합성한 Cr 첨가 Li4Ti5O12의 전기화학적 특성)

  • Kim, Sun-Ah;Cho, Woo-Ram;Jeong, Koo-Hyun;Cho, Byung-Won;Na, Byung-Ki
    • Journal of the Korean Electrochemical Society
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    • v.14 no.1
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    • pp.27-32
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    • 2011
  • The electorchemical properties of $Li_4Ti_5O_{12}$ added with Cr was tested. The addition or substitution of atoms to $Li_4Ti_5O_{12}$ are expected to modify the crystal structure, and therefore to change the electrochemical performances of $Li_4Ti_5O_{12}$. After the spinel structure $Li_4Ti_{5-x}Cr_xO_{12}$ (x = 0~0.2) were obtained via sol-gel method, the gel was heated in a muffle furnace at $800{\sim}850^{\circ}C$ for 12 h in air. The physical properties of the samples were characterized by TG-DTA, XRD, SEM, FT-IR, and the electrochemical properties were tested with battery cycler at 0.01~2.0 V range. The $Li_4Ti_5O_{12}$ exhibited 169.9 mAh/g at 1C and capacity recovery was 97.5% of the initial capacity at 0.1C. $Li_4Ti_{4.9}Cr_{0.1}O_{12}$ (Cr 1% added) showed best performance of 193.8 mAh/g at 1C and the capacity recovery was increased to 98.8% of the initial capacity at 0.1C.

Carbon Nanotubes Doped with Nitrogen, Pyridine-like Nitrogen Defects, and Transition Metal Atoms

  • Mananghaya, Michael R.
    • Journal of the Korean Chemical Society
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    • v.56 no.1
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    • pp.34-46
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    • 2012
  • Dopants and defects can be introduced as well as the intercalation of metals into single wall carbon nanotubes (SWCNTs) to modify their electronic and magnetic properties, thus significantly widening their application areas. Through spinpolarized density functional theory (DFT) calculations, we have systemically studied the following: (i) (10,0) and (5,5) SWCNT doped with nitrogen ($CN_xNT$), (ii) (10,0) and (5,5) SWCNT with pyridine-like defects (3NV-$CN_xNT$), and (iii) chemical functionalization of (10,0) and (5,5) 3NV-$CN_xNT$ with 12 different transition metals (TMs) (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Pd, and Pt). Attention was done in searching for the most stable configurations, deformation, calculating the formation energies, and exploring the effects of the doping concentration of nitrogen and pyridine-like nitrogenated defects on the electronic properties of the nanotubes. Also, calculating the corresponding binding energies and effects of chemical functionalization of TMs on the electronic and magnetic properties of the nanotubes has been made. We found out that the electronic properties of SWCNT can be effectively modified in various ways, which are strongly dependent not only on the concentration of the adsorbed nitrogen but also to the configuration of the adsorbed nitrogen impurities, the pyridine-like nitrogenated defects, and the TMs absorbed; due to the strong interaction between the d orbitals of TMs and the p orbitals of N atoms, the binding strengths of TMs with the two 3NV-$CN_xNT$ are significantly enhanced when compared to the pure SWCNTs.

Spectroscopic Properties and Ligand Field Analysis of trans -Dibromo(2,2-dimethyl-1,3-diaminopropane)chromium(III) Moiety

  • Choi, Jong-Ha;Oh, In-Gyung;Lim, Woo-Taik;Ryoo, Keon-Sang;Kim, Dong-Il;Park, Yu-Chul
    • Bulletin of the Korean Chemical Society
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    • v.26 no.6
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    • pp.903-908
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    • 2005
  • The sharp-line absorption and emission spectra of $(H_{13}O_6)${$trans-[Cr(Me_2tn)_2Br_2]$}$_2Br_2(ClO_4)\;(Me_2$tn = 2,2-dimethyl-1,3-diaminopropane) have been measured between 13000 $cm^{-1}$ and 16000 $cm^{-1}$ at 5 K. The 298 K infrared and visible absorption spectra have also been measured. The nine electronic bands due to spin-allowed and spin-forbidden transitions were assigned. Using observed transitions, a ligand field analysis has been performed to probe the ligand field properties of coordinated atoms in the title chromium(III) complex ion. The zero-phonon line in the sharp-line absorption spectrum splits into two components by 286 $cm^{-1}$, and the large $^2E_g$ splitting can be reproduced by the modern ligand field theory. It is confirmed that nitrogen atoms of the Me2tn ligand have a strong $\sigma$-donor character, but the bromide has weak $\sigma$- and $\pi$-donor properties toward chromium(III) ion.

Rapid Thermal Annealing at the Temperature of 650℃ Ag Films on SiO2 Deposited STS Substrates

  • Kim, Moojin;Kim, Kyoung-Bo
    • Applied Science and Convergence Technology
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    • v.26 no.6
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    • pp.208-213
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    • 2017
  • Flexible opto-electronic devices are developed on the insulating layer deposited stainless steel (STS) substrates. The silicon dioxide ($SiO_2$) material as the diffusion barrier of Fe and Cr atoms in addition to the electrical insulation between the electronic device and STS is processed using the plasma enhanced chemical vapor deposition method. Noble silver (Ag) films of approximately 100 nm thickness have been formed on $SiO_2$ deposited STS substrates by E-beam evaporation technique. The films then were annealed at $650^{\circ}C$ for 20 min using the rapid thermal annealing (RTA) technique. It was investigated the variation of the surface morphology due to the interaction between Ag films and $SiO_2$ layers after the RTA treatment. The results showed the movement of Si atoms in silver film from $SiO_2$. In addition, the structural investigation of Ag annealed at $650^{\circ}C$ indicated that the Ag film has the material property of p-type semiconductor and the bandgap of approximately 1 eV. Also, the films annealed at $650^{\circ}C$ showed reflection with sinusoidal oscillations due to optical interference of multiple reflections originated from films and substrate surfaces. Such changes can be attributed to both formation of $SiO_2$ on Ag film surface and agglomeration of silver film between particles due to annealing.

Effect of Crystallization Treatment on the Magnetic Properties of Amorphous Strips Based on Co-Fe-Ni-B-Si-Cr Containing Nitrogen

  • Cho H.J.;Kwon H.T.;Ryu H.H.;Sohn K.Y.;You B.S.;Park W.W.
    • Journal of Powder Materials
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    • v.13 no.4 s.57
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    • pp.285-289
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    • 2006
  • Co-Fe-Ni-B-Si-Cr based amorphous strips containing nitrogen were manufactured via melt spinning, and then devitrified by crystallization treatment at the various annealing temperatures of $300^{\circ}C{\sim}540^{\circ}C$ for up to 30 minutes in an inert gas $(N_2)$ atmosphere. The microstructures were examined by using XRD and TEM and the magnetic properties were measured by using VSM and B-H meter. Among the alloys, the amorphous ribbons of $Co_{72.6}Fe_{9.8}Ni_{5.5}B_{2.4}Si_{7.1}Cr_{2.6}$ containing 121 ppm of nitrogen showed relatively high saturation magnetization. The alloy ribbons crystallized at $540^{\circ}C$ showed that the grain size of $Co_{72.6}Fe_{9.8}Ni_{5.5}B_{2.4}Si_{7.1}Cr_{2.6}$ alloy containing 121 ppm of nitrogen was about f nm, which exhibited paramagnetic behavior. The formation of nano-grain structure was attributed to the finely dispersed Fe4N particles and the solid-solutionized nitrogen atoms in the matrix. Accordingly, it can be concluded that the nano-grain structure of 5nm in size could reduce the core loss within the normally applied magnetic field of 300A/m at 10kHz.

Effect of Interstitial Elements on Ductile-Brittle Transition Behavior of Austenitic Fe-18Cr-10Mn-2Ni Alloys (오스테나이트계 Fe-18Cr-10Mn-2Ni 합금의 연성-취성 천이 거동에 미치는 침입형 원소의 영향)

  • Hwang, Byoungchul
    • Korean Journal of Materials Research
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    • v.23 no.11
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    • pp.649-654
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    • 2013
  • The effect of interstitial elements on the ductile-brittle transition behavior of austenitic Fe-18Cr-10Mn-2Ni alloys with different nitrogen and carbon contents was investigated in this study. All the alloys exhibited ductile-brittle transition behavior because of unusual low-temperature brittle fracture, even though they have a faced-centered cubic structure. With the same interstitial content, the combined addition of nitrogen and carbon, compared to the sole addition of nitrogen, improved the low-temperature toughness and thus decreased the ductile-brittle transition temperature (DBTT) because this combined addition effectively enhances the metallic component of the interatomic bonds and is accompanied by good plasticity and toughness due to the increased free electron concentration. The increase in carbon content or of the carbon-to-nitrogen ratio, however, could increase the DBTT since either of these causes the occurrence of intergranular fracture that lead to the deterioration of the toughness at low temperatures. The secondary ion mass spectroscopy analysis results for the observation of carbon and nitrogen distributions confirms that the carbon and nitrogen atoms were significantly segregated to the austenite grain boundaries and then caused grain boundary embrittlement. In order to successfully develop austenitic Fe-Cr-Mn alloys for low-temperature application, therefore, more systematic study is required to determine the optimum content and ratio of carbon and nitrogen in terms of free electron concentration and grain boundary embrittlement.

Synthesis, Characterization, and Catalytic Properties of Gp 6 Metal Complexes of 1-N,N-dimethylaminomethyl-$1^{\prime}$,2-bis(diphenylphosphino)ferrocene (FcNPP). X-ray Crystal Structure of W$(CO)_4({\eta}^2-FcNPP(O)-P,N)$

  • Kim, Tae-Jeong;Kim, Yong-Hoon;Kim, Eun-Jin;Oh, Sang-Ho;Kim, Hong-Seok;Jeong, Jong-Hwa
    • Bulletin of the Korean Chemical Society
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    • v.15 no.5
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    • pp.379-386
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    • 1994
  • Reactions of 1',2-bis(diphenylphosphino)-l-(N,N-dimethylaminomethyl)ferrocene (FcNPP) with $M(CO)_6$ (M=Cr, Mo, W) in the presence of TMNO (Trimethylamine oxide) in a stoichiometric ratio of 1 : 1.5 : 3.5 produced a series of Gp 6 metal carbonyl derivatives with a variety of coordination modes: M(CO)$_4({\eta}^2$-FcNPP-P,P) (M=Cr, Mo, W), $M(CO)_5({\eta}^1-FcNPP-P) (M=Mo, W)\;,\; M_2(CO)_9({\eta}^1\;,\;{\eta}^2-FcNPP-P,P,N) (M=Cr, Mo)\;,\;M_2(CO)_{10}({\eta}^1\;,\;{\eta}^1-FcNPP-P,P) (M=Cr, Mo, W)\;, and\;W(CO)_4({\eta}^2-FcNPP(O)-P,N)$. All these complexes were characterized by microanalytical and spectroscopic techniques. In one case, the structure of W(CO)$_4({\eta}^2$-FcNPP(O)-P,N) was determined by X-ray crystallography. Crystals are monocinic, space group P$2_{1/C}$, with a=10.147(2), b=19.902(3), c=19.821(4) ${\AA},\;{\beta}=96.88(2)^{\circ},\;V=3974(l){\AA}^3$, Z=4, and $D_{calc}=1.64 g cm^{-3}$. The geometry around the central tungsten metal is a distorted octahedron, with the nitrogen and phosphorus atoms being cis to each other. Some of these complexes exhibited catalytic activities in the allylic oxidation and epoxidation of cholesterly acetate. Other oxidation products were also formed with the different chemical yields and product distribution depending upon the ligand and the central metal.

A Novel Method to Calculate the Carbides Fraction from Dilatometric Measurements During Cooling in Hot-Work Tool Steel

  • Zhao, Xiaoli;Li, Chuanwei;Han, Lizhan;Gu, Jianfeng
    • Metals and materials international
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    • v.24 no.6
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    • pp.1193-1201
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    • 2018
  • Dilatometry is a useful technique to obtain experimental data concerning transformation. In this paper, a dilation conversional model was established to calculate carbides fraction in AISI H13 hot-work tool steel based on the measured length changes. After carbides precipitation, the alloy contents in the matrix changed. In the usual models, the content of carbon atoms after precipitation is considered as the only element that affects the lattice constant and the content of the alloy elements such as Cr, Mo, Mn, V are often ignored. In the model introduced in this paper, the alloying elements (Cr, Mo, Mn, V) changes caused by carbides precipitation are incorporated. The carbides were identified using scanning electron microscope and transmission electron microscope. The relationship between lattice constant of carbides and temperature are measured by high-temperature X-ray diffraction. The results indicate that the carbides observed in all specimens cooled at different rates are V-rich MC and Cr-rich $M_{23}C_6$, and most of them are V-rich MC, only very few are Cr-rich $M_{23}C_6$. The model including the effects of substitutional alloying elements shows a good improvement on carbides fraction predictions. In addition, lower cooling rate advances the carbides precipitation for AISI H13 specimens. The results between experiments and mathematical model agree well.