• 제목/요약/키워드: Chemical-structural properties

검색결과 976건 처리시간 0.028초

Metal-Insulator Transition Induced by Short Range Magnetic Ordering in Mono-layered Manganite

  • Chi, E.O.;Kim, W.S.;Hong, C.S.;Hur, N.H.;Choi, Y.N.
    • Bulletin of the Korean Chemical Society
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    • 제24권5호
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    • pp.573-578
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    • 2003
  • The structural, magnetic, and transport properties of a mono-layered manganite $La_{0.7}Sr_{1.3}MnO_{4+{\delta}}$ were investigated using variable temperature neutron powder diffraction as well as magnetization and transport measurements. The compound adopts the tetragonal I4/mmm symmetry and exhibits no magnetic reflection in the temperature region of 10 K ≤ T ≤ 300 K. A weak ferromagnetic (FM) transition occurs about 130 K, which almost coincides with the onset of a metal-insulator (M-I) transition. Extra oxygen that occupies the interstitial site between the [(La,Sr)O] layers makes the spacing between the [MnO₂] layers shorten, which enhances the inter-layer coupling and eventually leads to the M-I transition. We also found negative magneto resistance (MR) below the M-I transition temperature, which can be understood on the basis of the percolative transport via FM metallic domains in the antiferromagnetic (AFM) insulating matrix.

Binary Doping of N-B and N-P into Graphene: Structural and Electronic properties

  • Kim, Hyo seok;Kim, Seong Sik
    • EDISON SW 활용 경진대회 논문집
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    • 제2회(2013년)
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    • pp.256-259
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    • 2013
  • We investigate co-doping effects of conjugated P-N B-N with increasing of N concentration in the graphene sheets using a first principles based on the density functional theory. N doping sites of the graphene consider two possible sites (pyridinic and porphyrin-like). Energy calculation shows that additional doping of B atom in the porphyrin-like N doped graphene ($V+B-N_x$) is hard to form. At the low chemical potential of N, one N atom with additional doping in the graphene ($V+P-N_1$, $P/B-N_1$) has low formation energy on the other hand at high chemical potential of N, high concentration of N ($V+P-N_4$, $P/B-N_3$) in the graphene is governing conformation. From the results of electronic band structure calculation, it is found that $V+P-N_4$ and $P/B-N_3$ cases change the Fermi energy therefore type change is occurred. On the other hand, the cases of $V+P-N_1$ and N+B recover the electronic structure of pristine graphene.

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전해액의 농도가 Cu 전극의 전기화학적 특성에 미치는 영향 (Effects of Concentration of Electrolytes on the Electrochemical Properties of Copper)

  • 이성일;박성우;한상준;이영균;서용진
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2007년도 하계학술대회 논문집 Vol.8
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    • pp.82-82
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    • 2007
  • The chemical mechanical polishing (CMP) process has been widely used to obtain global planarization of multilevel interconnection process for ultra large scale. integrated circuit applications. Especially, the application of copper CMP has become an integral part of several semiconductor device and materials manufacturers. However, the low-k materials at 65nm and below device structures because of fragile property, requires low down-pressure mechanical polishing for maintaining the structural integrity of under layer during their fabrication. In this paper, we studied electrochemical mechanical polishing (ECMP) as a new planarization technology that uses electrolyte chemistry instead of abrasive slurry for copper CMP process. The current-voltage (I-V) curves were employed we investigated that how this chemical affect the process of voltage induced material removal in ECMP of Copper. This work was supported by grant No. (R01-2006-000-11275-0) from the Basic Research Program of the Korea Science.

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Development of a New Double Buffer Layer for Cu(In, Ga) $Se_2$ Solar Cells

  • Larina, Liudmila;Kim, Ki-Hwan;Yoon, Kyung-Hoon;Ahn, Byung-Tae
    • 한국신재생에너지학회:학술대회논문집
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    • 한국신재생에너지학회 2006년도 춘계학술대회
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    • pp.152-153
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    • 2006
  • The new approach to buffer layer design for CIGS solar cells that permitted to reduce the buffer absorption losses in the short wavelength range and to overcome the disadvantages inherent to Cd-free CIGS solar cells was proposed. A chemical bath deposition method has been used to produce a high duality buffer layer that comprises thin film of CdS and Zn-based film. The double layer was grown on either ITO or CIGS substrates and its morphological, structural and optical properties were characterized. The Zn-based film was described as the ternary compound $ZnS_x(OH)_y$. The composition of the $ZnS_x(OH)_y$ layer was not uniform throughout its thickness. $ZnS_x(OH)_y$/CdS/substrate region was a highly intermixed region with gradually changing composition. The short wavelength cut-off of double layer was shifted to shorter wavelength (400nm) compared to that (520 nm) for the standard CdS by optimization of the double buffer design. The results show the way to improve the light energy collection efficiency of the nearly cadmium-free CIGS-based solar cells.

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전자선 조사를 이용한 전기방사된 Si-Zr-C 섬유의 제조 (Fabrication of Electrospun Si-Zr-C Fibers by Electron Beam Irradiation)

  • 서동권;전준표;김현빈;강필현
    • 방사선산업학회지
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    • 제4권3호
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    • pp.265-269
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    • 2010
  • Silicon-based non-oxide ceramic carbide fiber is one of the leading candidate ceramic materials for engineering applications because of its excellent mechanical properties at high temperature and good chemical resistance. In this study, polycarbosilane(PCS) and zirconium butoxide were used as a precursor to prepare polyzirconocarbosilane (PZC) fibers. A polymer solution was prepared by dissolving PCS in zirconium butoxide (50/50 wt%). This solution was heated at $250^{\circ}C$ in a nitrogen atmosphere for 2 hour with stirring, and then dried in a vacuum oven for 48 hour. PZC fibers were fabricated using an electrospinning technique. The fibers were irradiated with an electron beam to induce structural crosslinking. Crosslinked PZC fibers were heat treated at $1,300^{\circ}C$ in a nitrogen atmosphere. The microstructures of PZC fibers were examined by SEM. Chemical structures of PZC fibers were examined by FT-IR and XRD. Thermal stability of PZC fibers was investigated by TGA.

A Theory on Phase Behaviors of Diblock Copolymer/Homopolymer Blends

  • 윤경섭;박형석
    • Bulletin of the Korean Chemical Society
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    • 제16권9호
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    • pp.873-885
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    • 1995
  • The local structural and thermodynamical properties of blends A-B/H of a diblock copolymer A-B and a homopolymer H are studied using the polymer reference interaction site model (RISM) integral equation theory with the mean-spherical approximation closure. The random phase approximation (RPA)-like static scattering function is derived and the interaction parameter is obtained to investigate the phase transition behaviors in A-B/H blends effectively. The dependences of the microscopic interaction parameter and the macrophase-microphase separation on temperature, molecular weight, block composition and segment size ratio of the diblock copolymer, density, and concentration of the added homopolymer, are investigated numerically within the framework of Gaussian chain statistics. The numerical calculations of site-site interchain pair correlation functions are performed to see the local structures for the model blends. The calculated phase diagrams for A-B/H blends from the polymer RISM theory are compared with results by the RPA model and transmission electron microscopy (TEM). Our extended formal version shows the different feature from RPA in the microscopic phase separation behavior, but shows the consistency with TEM qualitatively. Scaling relationships of scattering peak, interaction parameter, and temperature at the microphase separation are obtained for the molecular weight of diblock copolymer. They are compared with the recent data by small-angle neutron scattering measurements.

Structural and Magnetic Properties of the Brownmillerite $Ca_2Al_xFe_{2-x}O_5$ System

  • 김귀야;로권선;여철현
    • Bulletin of the Korean Chemical Society
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    • 제16권10호
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    • pp.934-938
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    • 1995
  • A series of solid solutions in the Ca2AlxFe2-xO5 (x=0.00, 0.50, 0.66, 1.00 and 1.34) system with brownmillerite structure has been synthesized at 1100 ℃ under an atmospheric air pressure. The solid solutions are analysed by powder x-ray diffraction analysis, Mohr salt titration, thermal analysis, and Mossbauer spectroscopic analysis. The x-ray diffraction analysis assigns the compositions of x=0.00 and 0.50 to the space group Pcmn and those of x=0.66, 1.00, and 1.34 to the Ibm2. Mo&ssbauer spectra have shown the coordination state and disordering of Al3+ and Fe3+ ions. The substituting preference of Al3+ ions for the tetrahedral site decreases with increasing x value. Magnetic susceptibility of the system has been measured in the temperature range of 5 K to 900 K. The solid solutions of the compositions of x=0.00, 0.50 and 0.66 have shown a thermal hysteresis and the thermoremanent magnetization gap decreases with increasing x value in the above systems. However the compositions of x=1.00 and 1.34 do not show the hysteresis. The exchange integral is calculated from Fe3+ ion occupancy ratio. The integral decreases with x value and thus the magnetic transition temperature decreases with the increasing x value.

Synthesis and Cation Binding Properties of Triester Calix[4]arenes and Calix[4]quinones

  • 남계천;강성옥;전종철
    • Bulletin of the Korean Chemical Society
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    • 제18권10호
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    • pp.1050-1052
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    • 1997
  • The complexes M(CO)4-1,2-(PPh2)2-1,2-C2B10H10 (M=Cr 2a, Mo 2b, W 2c) have been prepared in good yields from readily available bis-diphenylphosphino-o-carboranyl ligand, closo-1,2-(PPh2)2-1,2-C2B10H10 (1), by direct reaction with Group Ⅵ metal carbonyls. The infrared spectra of the complexes indicate that there is an octahedral disposition of chelate bis-diphenylphosphino-o-carboranyl ligand around the metal atom. The crystal structure of 2a was determined by X-ray diffraction. Complex 2a crystallizes in the monoclinic space group P21/n with cell parameters a = 12.2360(7), b = 17.156(1), c = 16.2040(6) Å, V = 3354.1(3) Å3, and Z =4. Of the reflections measured a total of 2514 unique reflections with F2 > 3σ(F2) was used during subsequent structure refinement. Refinement converged to R1 = 0.066 and R2 = 0.071. Structural studies showed that the chromium atom had a slightly distorted pseudo-octahedral configuration about the metal center with two phosphine groups of o-carborane occupying the equatorial plane cis-orientation to each other. These metal carbonyl complexes are rapidly converted to the corresponding metal carbene complexes, [(CO)3M=C(OCH3)(CH3)]-1,2-(PPh2)2-1,2-C2B10H10 (M= Cr 3a, Mo 3b, W 3c), via alkylation with methyllithium followed by O-methylation with CF3SO3CH3.

High Pressure Synthesis and Physical Properties of the Solid Solution, $SrLaAl_{1-x}Ni_xO_4(0

  • 변송호
    • Bulletin of the Korean Chemical Society
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    • 제16권11호
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    • pp.1084-1088
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    • 1995
  • A complete solid solution (SrLaAl1-xNixO4) between insulating SrLaAlO4 and metallic SrLaNi(Ⅲ)O4 oxides were prepared under high oxygen pressure (1.5 kbar, 800 ℃). They have tetragonal K2NiF4-type structure in all the solid solution range. Compared with lattice parameters of the same solid solution prepared under normal condition (1 bar, 1200 ℃), large decrease in the c-parameter was induced by high pressure treatment while no noticeable variation of the a-parameter was observed. Although marked changes of structural parameters, magnetic susceptibilities, and electron paramagnetic resonance spectra were consistently occurred before and after x=0.5, overall behaviors were essentially the same with those of solid solution prepared under normal condition. Such a phenomenon is explained by assuming the formation of partially filled narrow σ*x2-y2 band for x>0.5. Lattice contraction along the c-axis by high pressure treatment seems not to broaden this band. Particularly, the continuous absorption characteristic of a high free carrier concentration for x>0.5 and the absence of Ni-O in-plane stretching mode in the infrared absorption spectra supports this picture. However, the conductivities increasing with temperature for all solid solution suggest that some localization character, of probably Anderson type, remains for x>0.5.

Tertiary Structure of Ganglioside $G_{A1}$ as Determined by NMR Spectroscopy

  • 이경익;이상원;전길자;김양미
    • Bulletin of the Korean Chemical Society
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    • 제19권5호
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    • pp.569-575
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    • 1998
  • Investigation of the structure of the gangliosides has proven to be very important in the understanding of their biological roles. We have determined the tertiary structure of asialoganglioside GM1 $(GA_1)$ using NMR spectroscopy and distance geometry calculations. All of the structures are very similar except the glycosidic torsion angles in the ring IV and ring III linkages. There are two low-energy structures for GA1, G1 and G2. G1 differs from G2 only in the IV-III glycosidic linkages and the orientation of acetamido group in ring III. There is a stable intramolecular hydrogen bond between the third hydroxyl group in ring I and the ring oxygen atom in ring II. Also, there may be a weak hydrogen bond between the second hydroxyl group in ring IV and the acetamido group in ring III. Small coupling constants of $^3J_{IH3,IOH3}\; and\; ^3J_{IVH2,IVOH2}$ support this result. Overall structural features of $(GA_1)$ are very similar to those of $(GM_1)$. It implicates that specificities of the sugar moieties in GM1 are caused not by their tertiary foldings, but mainly by the electrostatic interactions between the polar sialic acid and its receptors. Since it is evident that $(GA_1)$ is more hydrophobic than $(GA_1)$, a receptor with a hydrophobic binding site can recognize the $(GA_1)$ better than $(GA_1)$. Studies on the conformational properties of $(GA_1)$ may lead to a better understanding of the molecular basis of its functions.