• Bulletin of the Korean Chemical Society
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• 제33권10호
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• pp.3303-3310
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• 2012

Two single crystals of fully dehydrated partially $Li^+$-exchanged zeolite X were prepared by the exchange of Na-X, $Na_{92}Si_{100}Al_{92}O_{384}$ (Si/Al = 1.09), with $Li^+$ using aqueous 0.1 M $LiNO_3$ at 293 (crystal 1) and 333 K(crystal 2), followed by vacuum dehydration at 623 K and $1{\times}10^{-6}$ Torr for 2 days. Their structures were determined by single-crystal synchrotron X-ray diffraction techniques in the cubic space group $Fd{\overline{3}}$ at 100(1) K. Their structures were refined using all intensities to the final error indices (using the 1281 and 883 reflections for which ($F_o$ > $4{\sigma}(F_o)$) $R_1/R_2$ = 0.075/0.244 and 0.074/0.223 for crystals 1 and 2, respectively. Their compositions are seen to be ${\mid}Li_{86}Na_6{\mid}[Si_{100}Al_{92}O_{384}]$-FAU and ${\mid}Li_{87}Na_5{\mid}[Si_{100}Al_{92}O_{384}]$-FAU, respectively. In crystal 1, 17 $Li^+$ ions per unit cell are at site I', 15 another site I', 30 at site II, and the remaining 16 at site III; 2 $Na^+$ ions are at site II and the remaining 4 at site III'. In crystal 2, 32 and 30 $Li^+$ ions per unit cell fill sites I' and II, respectively, and the remaining 25 at site III'; 2 and 3 $Na^+$ ions are found at sites II and III', respectively. The extent of $Li^+$ exchange increases slightly with increasing ion exchange temperature from 93% to 95%.

• 공업화학
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• 제28권5호
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• pp.521-528
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• 2017

폐 LCD 패널유리의 재활용방안을 찾고자, 폐 LCD 패널유리를 원료로 사용하여 수열반응에 의해 이온교환성능을 갖는 제올라이트 합성공정을 조사하였다. 폐 LCD 패널유리는 이온교환성능을 갖는 제올라이트의 제조 원료로 사용될 수 있음을 보여주었다. 이온교환능력을 갖는 제올라이트의 제조를 위한 조건은 폐 LCD 패널유리의 Al성분에 대한 Si성분의 몰비 2.0~2.8, 수열반응온도 $100^{\circ}C$, 수열반응시간 12 h이다. 상기조건에서 Al성분에 대한 Si성분의 몰비(Si/Al mole ratio)를 2.0으로 하는 경우 A형 제올라이트가 합성되며, 몰비를 2.8의 조건으로 유지하는 경우 P형 제올라이트의 생성된다. 폐 LCD 패널유리를 이용하여 제조된 A형 제올라이트는 양호한 이온교환능력 및 중금속 흡착능력을 보여 주었으며, 결정상이 큐빅상으로 안정적으로 성장할수록 이온 교환능력은 우수하다.

• Nuclear Engineering and Technology
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• 제53권2호
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• pp.592-602
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• 2021

Thorium compounds have attracted immense scientific and technological attention with regard to both fundamental and practical implications, owing to unique chemical and physical properties like high melting point, high density and thermal conductivity. Hereby, we investigate the mechanical and thermodynamic stability and report on the structural, electronic and magnetic properties of new silicon-doped cubic ternary thorium phosphides ThSi_xP_1-x (x = 0, 0.25, 0.5, 0.75 and 1). The first-principles density functional theory procedure was adopted within full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential terms were treated within Generalized-Gradient-Approximation functional modified by Perdew-Burke-Ernzerrhof parameterizations. The proposed compounds showed mechanical and thermodynamic stable structure and hence can be synthesized experimentally. The calculated lattice parameters, bulk modulus, total energy, density of states, electronic band structure and spin magnetic moments of the compounds revealed considerable correlation to the Si substitution for P and the relative Si/P doping concentration. The electronic and magnetic properties of the doped compounds rendered them non-magnetic but metallic in nature. The main orbital contribution to the Fermi level arises from the hybridization of Th(6d+5f) and (Si+P)3p states. Reported results may have potential implications with regard to both fundamental point of view and technological prospects such as fuel materials for clean nuclear energy.

• 한국산학기술학회논문지
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• 제17권10호
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• pp.9-12
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• 2016

특정 광 파장 영역대역에서 광 반사율을 갖는 다층 박막을 DC펄스 스퍼터링 공정으로 제작하기 위하여 공정변수가 다층 박막의 광학 특성에 미치는 영향이 연구되었다. 다층 박막 필름을 제작하기위한 시뮬레이션이 이루어졌으며, DC펄스 스퍼터링 공정을 이용한 저 굴절률의 $SiO_2$와 고 굴절률의 $TiO_2$ 박막의 광학 특성에 미치는 공정 변수 파라미터가 연구되었다. DC펄스 스퍼터링 파워 2kW, 아르곤 가스 200sccm(standard cubic centimeter per minute)기준조건에서 산소가스 비율 12% 범위에서 제작한 $SiO_2$박막은 굴절률 1.46이었고 산소가스 1% 비율에서 제작한 $TiO_2$박막은 굴절률 2.27이었다. 이들 박막으로 구성된 고 굴절률 박막/저 굴절률 박막/고 굴절률 박막의 3층 다층 박막 구조의 광학설계 시뮬레이션 결과와 측정된 광 반사율 특성결과는 파장 대역에 걸쳐 유사한 경향이 있는 것으로 측정되었다. 근적외선 780nm에서 1200nm파장 대역 영역에서 광 반사율 45%이상의 성능을 갖는 다층 박막 필름을 제작할 수 있었고 근적외선 차단 기능 박막으로 사용될 것으로 기대된다.

• 전기학회논문지
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• 제67권4호
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• pp.543-548
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• 2018

Ferroelectric $Bi_4Ti_3O_{12}$ films were deposited on $SrTiO_3(100)$ and Si(100) substrate by using conductive $SrRuO_3$ films as underlayer, and their ferroelectric and electrical properties were investigated depending on crystal structure and orientation. C-axis oriented $Bi_4Ti_3O_{12}$ films were grown on well lattice-matched pseudo-cubic $SrRuO_3$ films deposited on $SrTiO_3(100)$ substrate, while random-oriented polycrystalline $Bi_4Ti_3O_{12}$ films were grown on $SrRuO_3$ films deposited on Si(100) substrate. The random-oriented polycrystalline film showed a good ferroelectric hysteresis property with remanent polarization ($P_r$) of $9.4{\mu}C/cm^2$ and coercive field ($E_c$) of 84.9 kV/cm, while the c-axis oriented film showed $P_r=0.64{\mu}C/cm^2$ and $E_c=47kV/cm$ in polarizaion vs electric field curve. The c-axis oriented $Bi_4Ti_3O_{12}$ film showed a dielectric constant of about 150 and lower thickness dependence in dielectric constant compared to the random-oriented film. Furthermore, the c-axis oriented $Bi_4Ti_3O_{12}$ film showed leakage current lower than that of the polycrystalline film. The difference of ferroelectric properties in two films was explained from the viewpoint of depolarization effect due to orientation of spontaneous polarization and layered crystal structure of bismuth-base ferroelectric oxide.

• 한국재료학회지
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• 제21권8호
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• pp.439-443
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• 2011

The crystal structure and magnetic properties of a new solid solution type ferrite $(Fe_2O_3)_5-(Al_2O_3)_{3.4}-(Ga_2O_3)_{0.6}-SiO$ were investigated using X-ray diffraction and M$\"{o}$ssbauer spectroscopy. The results of the X-ray diffraction pattern indicated that the crystal structure of the sample appears to be a cubic spinel type structure. The lattice constant (a = 8.317 ${\AA}$) decreases slightly with the substitution of $Ga_2O_3$ even though the ionic radii of the Ga ions are larger than that of the Al ions. The results can be attributed to a higher degree of covalency in the Ga-O bonds than in the Al-O and Fe-O bonds, which can also be explained using the observed M$\"{o}$ssbauer parameters, which are the magnetic hyperfine field, isomer shift, and quadrupole splitting. The drastic change in the magnetic structure according to the Ga ion substitution in the $ (Fe_2O_3)_5(Al_2O_3)_{4-x}(Ga_2O_3)_xSiO$ system and the low temperature variation have been studied through a M$\"{o}$ssbauer spectroscopy. The M$\"{o}$ssbauer spectrum at room temperature shows the superpositions of two Zeeman patterns and a strong doublet. It shows significant departures from the prototypical ferrite and is comparable with the diluted ferrite. The doublet of spectrum at room temperature appears to originate from superparamagnetic clusters and also the asymmetry of the doublet appears to be caused by the preferred orientation of the crystallites. The M$\"{o}$ssbauer spectra below room temperature show various complicated patterns, which can be explained by the freezing of the superparamagnetic clusters. On cooling, the magnetic states of the sample were various and multi critical.

• 대한기계학회논문집
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• 제14권6호
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• pp.1533-1541
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• 1990

본 연구에서는 초입자인 CBN단입자와 기존의 연삭입자인 SiC단입자를 연삭입 자로 하고, 경강과 연강의 공작물재료를 단입자로 연삭했을 때의 표면거칠기 특성을 단입자의 절삭현상으로부터 비교 구명하고 CBN입자에 의한 연삭의 경우가 표면거칠기 가 악화하는 원인을 구명함으로써 이것을 토대로 하여 CBN입자의 실용 보편화의 자료 로 삼고자 하였다.

• Bulletin of the Korean Chemical Society
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• 제35권4호
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• pp.1067-1072
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• 2014

In this study, we report a new approach for $Mn_3O_4$-graphene nanocomposite by ex situ method. This nanocomposite shows two-dimensional aggregation of nanoparticle, and doping effect by decorated manganese oxide ($Mn_3O_4$), as well. The graphene film was made through micromechanical cleavage of graphite on the $SiO_2/Si$ wafer. Manganese oxide ($Mn_3O_4$) nanoparticle with uniform cubic shape and size (about $5.47{\pm}0.61$ nm sized) was synthesized through the thermal decomposition of manganese(II) acetate, in the presence of oleic acid and oleylamine. The nanocomposite was obtained by self-assembly of nanoparticles on graphene film, using hydrophobic interaction. After heat treatment, the decorated nanoparticles have island structure, with one-layer thickness by two-dimensional aggregations of particles, to minimize the surface potential of each particle. The doping effect of $Mn_3O_4$ nanoparticle was investigated with Raman spectra. Given the upshift in positions of G and 2D in raman peaks, we suggest that $Mn_3O_4$ nanoparticles induce p-doping of graphene film.

• Applied Microscopy
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• 제45권4호
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• pp.242-248
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• 2015

In this paper, three carbon sources, i.e., solid graphite, gaseous CH4 and liquid ethanol, and one solid silicon source were employed to synthesize SiC/C nanocomposite powders by arc-discharge plasma. The processing conditions such as the component ratios of raw materials, atmospheric gases, etc. were adjusted for controllable synthesis of the nanopowders. It is indicated that both of solid graphite and silicon can be co-evaporated and reacted to form nanophases of cubic ${\beta}$-SiC with ~50 nm in mean size and a little free graphite; the carbon atoms decomposed from gaseous $CH_4$ favor to combine with the evaporated silicon atoms to form the dominant SiC nanophase; liquid carbon source of ethanol can also be used to harvest the main ${\beta}$-SiC and minor 6H-SiC phases in the assembly of nanoparticles. The as-prepared SiC/C nanocomposite powders were further purified by a heat-treatment in air and their photocatalytic performances were then greatly improved.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2004년도 추계학술대회
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• pp.1207-1212
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• 2004

A model for the phonon dispersion relationship for cubic zinc sulfide structure, for example SiC, is developed in terms of two unknown force constants. Born model that incorporates bond bending and bond stretching, is used for the force constants. The force constants are determined by fitting to experimental data. Using only the nearest-neighbor coupling results in $6{\times}6$ sized dynamic matrix. The eigenvalues of dynamics matrix for each wavenumber in 3-D ${\kappa}$ space correspond to frequencies, 3 for optical phonon and 3 for acoustic phonon, which is so-called dispersion relation (${\kappa}$-${\omega}$). The density of state is determined by counting the states for each frequency bin, and the properties such as specific heat and thermal conductivity can be obtained. The specific heat is estimated on this model and compared with experiment and other models, i.e. Debye model, Einstein model and combined Debye-Einstein model. In spite of the simple bond potential model, reasonable agreements are found.