• Title/Summary/Keyword: chemical elements

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Spin-Orbit Density Functional Theory Calculations for TlAt with Relativistic Effective Core Potentials

  • Choi, Yoon-Jeong;Bae, Cheol-Beom;Lee, Yoon-Sup;Lee, Sang-San
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.728-730
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    • 2003
  • Bond lengths, harmonic vibrational frequencies and dissociation energies of TlAt are calculated at ab initio molecular orbital and density functional theory using effective spin-orbit operator and relativistic effective core potentials. Spin-orbit effects estimated from density functional theory are in good agreement with those from ab initio calculations, implying that density functional theory with effective core potentials can be an efficient and reliable methods for spin-orbit interactions. The estimated $R_e$, $ω_e$ and $D_e$ values are 2.937 ${\AA}$, 120 $cm^{-1}$, 1.96 eV for TlAt. Spin-orbit effects generally cause the bond contraction in Group 13 elements and the bond elongation in the Group 17 elements, and spin-orbit effects on Re of TlAt are almost cancelled out. The spinorbit effects on $D_e$ of TlAt are roughly the sum of spin-orbit effects on $D_e$ of the corresponding element hydrides. Electron correlations and spin-orbit effects are almost additive in the TlAt molecule.

Comparison Study of Sensitivity Factors of Elements in Glow Discharge- & Inductively Coupled Plasma- Mass Spectrometry

  • Kim, Young-Sang;Plotnikov, M.;Hoffmann, Volker
    • Bulletin of the Korean Chemical Society
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    • v.26 no.12
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    • pp.1991-1995
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    • 2005
  • Sensitivity factors of elements by a glow discharge mass spectrometry (GD-MS) were intensively investigated and compared with a laser ablation inductively coupled plasma-mass spectrometry (ICP-MS). In case of copper matrix, the sensitivity factor by GD-MS generally decreases with the increase of the mass number of element. The details are a little different between each data measured by Faraday and multiplier detectors. The factor by a multiplier detector drastically decreases with the mass increase in the region of low mass as in Faraday detector’s case, but slowly in the high mass region. On the contrast, the sensitivity factor of solution standard by a conventional ICP-MS slowly increases with the increase of elemental mass number even though there are some exceptions such as gold and also the sensitivity factor by a laser ablation ICP MS generally increases with mass number of element in the specimen of glass type. In case of steel matrix, any definite trends could not be shown in the relationship between the GD-MS’s sensitivity factor and elemental mass.

Characterization of Individual Atmospheric Aerosols Using Quantitative Energy Dispersive-Electron Probe X-ray Microanalysis: A Review

  • Kim, Hye-Kyeong;Ro, Chul-Un
    • Asian Journal of Atmospheric Environment
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    • v.4 no.3
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    • pp.115-140
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    • 2010
  • Great concerns about atmospheric aerosols are attributed to their multiple roles to atmospheric processes. For example, atmospheric aerosols influence global climate, directly by scattering or absorbing solar radiations and indirectly by serving as cloud condensation nuclei. They also have a significant impact on human health and visibility. Many of these effects depend on the size and composition of atmospheric aerosols, and thus detailed information on the physicochemical properties and the distribution of airborne particles is critical to accurately predict their impact on the Earth's climate as well as human health. A single particle analysis technique, named low-Z particle electron probe X-ray microanalysis (low-Z particle EPMA) that can determine the concentration of low-Z elements such as carbon, nitrogen and oxygen in a microscopic volume has been developed. The capability of quantitative analysis of low-Z elements in individual particle allows the characterization of especially important atmospheric particles such as sulfates, nitrates, ammonium, and carbonaceous particles. Furthermore, the diversity and the complicated heterogeneity of atmospheric particles in chemical compositions can be investigated in detail. In this review, the development and methodology of low-Z particle EPMA for the analysis of atmospheric aerosols are introduced. Also, its typical applications for the characterization of various atmospheric particles, i.e., on the chemical compositions, morphologies, the size segregated distributions, and the origins of Asian dust, urban aerosols, indoor aerosols in underground subway station, and Arctic aerosols, are illustrated.

Macromolecular and Elemental Composition Analyses of Leuconostoc mesenteroides ATCC 8293 Cultured in a Chemostat

  • Bang, Jeongsu;Li, Ling;Seong, Hyunbin;Kwon, Ye Won;Jeong, Eun Ji;Lee, Dong-Yup;Han, Nam Soo
    • Journal of Microbiology and Biotechnology
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    • v.27 no.5
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    • pp.939-942
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    • 2017
  • The cellular composition and metabolic compounds of Leuconostoc mesenteroides ATCC 8293 were analyzed after cultivation in an anaerobic chemostat. The macromolecular composition was 24.4% polysaccharide, 29.7% protein, 7.9% lipid, 2.9% DNA, and 7.4% RNA. Its amino acid composition included large amounts of lysine, glutamic acid, alanine, and leucine. Elements were in the order of C > O > N > H > S. The metabolites in chemostat culture were lactic acid (73.34 mM), acetic acid (7.69 mM), and mannitol (9.93 mM). These data provide a first view of the cellular composition of L. mesenteroides for use in metabolic flux analysis.

Analysis of the Na Gettering in PSG/SiO2/Al-1%Si Multilevel Thin Films using XPS and SIMS (XPS와 SIMS를 이용한 PSG/SiO2/Al-1%Si 적층 박막내의 Na 게터링 분석)

  • Kim, Jin Young
    • Journal of the Korean institute of surface engineering
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    • v.49 no.5
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    • pp.467-471
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    • 2016
  • In order to investigate the Na gettering, PSG/$SiO_2$/Al-1%Si multilevel thin films were fabricated. DC magnetron sputter techniques and APCVD (atmosphere pressure chemical vapor deposition) were utilized for the deposition of Al-1%Si thin films and PSG/$SiO_2$ passivations, respectively. Heat treatment was carried out at $300^{\circ}C$ for 5 h in air. SIMS (secondary ion mass spectrometry) depth profiling and XPS (X-ray Photoelectron Spectroscopy) analysis were used to determine the distribution and binding energies of Na, Al, Si, O, P and other elements throughout the PSG/$SiO_2$/Al-1%Si multilevel thin films. Na peaks were mainly observed at the the PSG/$SiO_2$ interface and at the $SiO_2$/Al-1%Si interfaces. Na impurity gettering in PSG/$SiO_2$/Al-1%Si multilevel thin films is considered to be caused by a segregation type of gettering. The chemical state of Si and O elements in PSG passivation appears to be $SiO_2$.

Mineral Contents of Edible Seaweeds Collected from Gijang and Wando in Korea (기장산과 완도산 식용해조류 중의 미네랄 함량)

  • Im, Yung-Geun;Choi, Jin-Seok;Kim, Dong-Soo
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.39 no.1
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    • pp.16-22
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    • 2006
  • Mineral and heavy metal contents were determined in three brown edible seaweeds (sea mustard, Undaria pinnatifida; seaweed fusiforme, Hizikia fusiforme; sea tangle, Laminaria japonica) collected from Gijang and Wando in Korea, and two green seaweeds (sea lettuce, Enteromorpha prolifera; green laver, Monostroma nitidum) collected from Gijang. Seaweeds contained high proportions of ash (13.8-24.8%) and sulfate (1.08-3.25%). In brown seaweeds, ash contents (24.5-24.8%) were higher than in green seaweeds (13.8-15.2%). The differences of mineral contents were remarkable in both Gijang and Wando and in 5 various kinds of seaweeds. Brown seaweeds contained higher amounts of both macro-minerals (657-13,947 mg/100 g; Ca, Mg, Na, K) and trace elements (0.27-12.98 mg/100 g; Fe, Al, Zn, Mn, Cr, Cu, Ni), and green seaweeds also had relatively higher amounts of both macro-minerals (233-5,279 mg/100 g) and trace elements (0.26-10.61 mg/100 g).

Determination of Glutamine Utilizing New Plant Tissue Bio-Sensor (새로운 식물조직 바이오센서에 의한 글루타민의 정량)

  • Ihn, Gwon Shik;Kim, Bong Won;Jeon, Yeong Guk
    • Journal of the Korean Chemical Society
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    • v.34 no.6
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    • pp.622-628
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    • 1990
  • The bio-sensor for glutamine has been constructed by immobilizing petal of the rose structural elements on an ammonia gas sensor. This sensor was investigated for the effects of pH, temperature, buffer solution, tissular amounts, interferences and lifetime. As a result, the tissue sensor showed linear range of $8.0 {\times} 10^{-4}$$5.0 {\times} 10^{-2}$ M glutamine with a slope of 52 mV/decade in pH 7.8, 0.2M phosphate beffer solution at 37$^{\circ}C$. The tissular amounts used for this sensor was 50 mg. This sensorr showed excellent selectivity. This sensor was compared with other structural elements of rose. Actually, this tissue sensor appeared to be very useful for the determination of glutamine.

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The scientific analysis of potteries excavated from Kyong-ju relics-In terms of potsherds excavated from Wangkyong, Walsung, Hwangnam great tomb (도.토기의 화학조성-경주 황남대총 출토 도.토기를 중심으로)

  • Hong, Jong-Ouk;Moon, Whan-Suk;Hwong, Jin-Ju;Jo, Nam-Cheol
    • 보존과학연구
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    • s.20
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    • pp.91-120
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    • 1999
  • This paper presents the results of investigation on crystal, firing temperature and trace elements analysis of fragments 4~8 centriesexcavated from Kyong ju historical sites such as Wang kyong,Walsung, Hwangnam great tomb by application of optical microscope, neutron activation analysis and X-ray diffraction. Temper analysis of clay for identification of local or foreign production; Trace elements is not presented a unique chemical composition. That’s data have to be treated a statistical process in order to normalize. The results followed ;(1) Firing temperature could be estimated $700^{\circ}C$ on some softness pottery at Walsung and most of hardness others are $1,000^{\circ}C$ to $1,200^{\circ}C$.(2) Crystal structures are divided into three kinds of mineralogical composition(Quartz, Mullite, Feldspar).(3) Considering of the results of statistical data, chemical composition of Walsung is more similarly Wang kyong than Hwangnam great tomb.

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Effect of Mechanical Polishing Pretreatment on Tribological Properties of Manganese Phosphate Coating of Carbon Steel (기계적 연마 전처리가 인산망간 피막의 윤활 특성에 미치는 영향)

  • Kim, Ho-Young;Noh, Young-Tai;Jeon, Jun-Hyuck;Kang, Ho-Sang
    • Journal of the Korean institute of surface engineering
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    • v.52 no.6
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    • pp.350-356
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    • 2019
  • In this study, the effect of mechanical polishing of carbon steel on the tribological properties of manganese phosphate coating on carbon steel has investigated. The microstructure, surface morphology and chemical composition were analyzed by SEM, EDS, and XRD. The surface roughness test was carried out in order to calculate Rvk value by 3D laser microscopy. Also, the tribology property of manganese phosphate coating was tested by ball-on disk. In the results of EDS analysis, coating layer consists of elements such in Mn, P, Fe, and O. XRD showed that (Mn,Fe)5H2(PO4)4·4H2O in manganese phosphate coating layer was formed by the chemical reaction between manganese phosphate and elements in carbon steel. As the mechanical polishing degree increased, the friction coefficient was reduced. The rougher the mechanical polishing degree, the better corrosion resistance was obtained.

Effect of Preparation Condition of Precursor Thin Films on the Properties of CZTS Solar Cells

  • Seong, Si-Jun;Park, Si-Nae;Kim, Dae-Hwan;Gang, Jin-Gyu
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.318.1-318.1
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    • 2013
  • Nowadays Cu2ZnSnS4 (CZTS) solar cell is attracting a lot of attention as a strong alternative to CIGS solar cell due to nontoxic and inexpensive constituent elements of CZTS. From various processes for the fabrication of CZTS solar cell, solution-based deposition of CZTS thin films is well-known non-vacuum process and many researchers are focusing on this method because of large-area deposition, high-throughput, and efficient material usage. Typically the solution-based process consists of two steps, coating of precursor solution and annealing of the precursor thin films. Unlike vacuum-based deposition, precursor solution contains unnecessary elements except Cu, Zn, Sn, and S in order to form high quality precursor thin films, and thus the precise control of precursor thin film preparation is essential for achieving high efficient CZTS solar cells. In this work, we have investigated the effect of preparation condition of CZTS precursor thin films on the performance of CZTS solar cells. The composition of CZTS precursor solution was controlled for obtaining optimized chemical composition of CZTS absorber layers for high-efficiency solar cells. Pre-annealing process of the CZTS precursor thin films was also investigated to confirm the effect of thermal treatment on chemical composition and carbon residues of CZTS absorber layers. The change of the morphology of CZTS precursor thin film by the preparation condition was also observed.

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