• Title/Summary/Keyword: Electron donors

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Calculation of Carrier Electron Concentration in ZnO Depending on Oxygen Partial Pressure

  • Kim, Eun-Dong;Park, Jong-Mun;Kim, Sang-Cheol;Kim, Nam-Kyun
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2000.05b
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    • pp.222-232
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    • 2000
  • The relationship between carrier electron concentration(n) and atmosphere oxygen partial pressure($P_{O_2}$ for pure ZnO calculated by the mass-action law, well-known as n ${\propto}P^{-1/m}_{O_2}$ where m = 4 or 6 for the single or the double ionization of the native donor defects due to its nonstoichiometry, respectively, is found in competition with the calculation result on the basis that the total defect concentration is the sum of those of unionized and ionized defects. Definitively, it is found inconsistent with the calculation result by employing the Fermi-Dirac(FD) statistics for their ionization processes. By application of the FD statistics law to the ionization while assuming the defect formation is still ruled by the mass-action law, the calculation results shows the concentration is proportional to $P^{-1/2}_{O_2}$ whenever they ionize singly and/or doubly. Conclusively we would like to propose the new theoretical relation n ${\propto}P^{-1/m}_{O_2}$ because the ionization processes of donors in ZnO should be treated with the electronoccupation probability at localized quantum states in its forbidden band created by the donor defects, i.e. the FD statistics

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A Study on Anaerobic Biodegradation of MTBE and BTEX by Indigenous Microorganisms (토착 미생물을 이용한 MTBE와 BTEX의 혐기성 생분해 연구)

  • Chung, Woo-Jin;Chang, Soon-Woong
    • Journal of Soil and Groundwater Environment
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    • v.21 no.3
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    • pp.88-94
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    • 2016
  • The simultaneous biodegradation between MTBE (Gasoline additives) and BTEX (Benzene, Toluene, Ethyl-benzene, o-Xylene, m-Xylene, p-Xylene) was achieved within a competitive inter-relationship, with not only electron accepters such as nitrate, sulfate, and iron(III) without oxygen, but also with electron donors such as MTBE and BTEX. Preexisting indigenous microorganisms from a domestic sample of gasoline contaminated soil was used for a lab-scale batch test. The result of the test showed that the biodegradation rate of MTBE decreased when there was co-existing MTBE and BTEX, compared to having just MTBE present. The growth of indigenous microorganisms was not affected in the case of the MTBE treatment, whereas the growth of the microorganisms was decreased in combined MTBE and BTEX sample. This may indicate that an inhibitor related to biodegradation when BTEX and MTBE are mixed will be found. This inhibitor may be found to retard the anaerobic conditions needed for efficient breakdown of these complex carbon chain molecules in-situ. Moreover, it is also possible that an unknown competitive reaction is being imposed on the interactions between MTBE and BTEX dependent on conditions, ratios of mixture, etc.

Structural and Molecular Orbital Properties of Some Boroxine Derivatives-A Theoretical Study

  • Turker, Lemi;Gumus, Selcuk;Atalar, Tane
    • Bulletin of the Korean Chemical Society
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    • v.30 no.10
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    • pp.2233-2239
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    • 2009
  • In the present study, firstly, the variations of the geometric parameters induced by different substituents on boroxine skeleton (symmetrically H, $CH_3$, Cl, F, $NO_2$ substituted boroxines) are investigated by using B3LYP/6-31G(d,p), RHF/6-31G(d,p), and MP2/6-31G(d,p) levels of the theory. The second objective is to estimate the substituent effect on the molecular aromaticity of boroxine derivatives using energetic and NICS criteria. Moreover, the effects of different theoretical levels on NICS values have been investigated in a systematic approach. Lastly, a rotational analysis has been performed to investigate the effect of rotation around the B-Me and B-$NO_2$ bonds on total energy of the system. It has been found that electron withdrawing substituents contribute the aromaticity of boroxine affirmatively. Conversely, electron donors make the system less aromatic. Also, the theoretical vibrational spectra for these boroxine derivatives are presented and compared with the experimental data from the literature.

Reductive Dechlorination of Groundwater Contaminated with PCE using Biobarrier: Column Study (생물벽체를 이용한 PCE로 오염된 지하수의 환원성 탐염소화: 칼럼 실험)

  • HwangBo, Hyun-Wook;Shin, Won-Sik;Song, Dong-Ik
    • Journal of Environmental Science International
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    • v.16 no.10
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    • pp.1147-1155
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    • 2007
  • The applicability of in situ biobarrier or microbial filter technology for the remediation of groundwater contaminated with chlorinated solvent was investigated through column study. In this study, the effect of packing materials on the reductive dechlorination of PCE was investigated using Canadian peat, Pahokee peat, peat moss and vermicompost (or worm casting) as a biobarrier medium. Optimal conditions previously determined from a batch microcosm study was applied in this column study. Lactate/benzoate was amended as electron donors to stimulate reductive dechlorination of PCE. Hydraulic conductivity was approximately $6{\times}10^{-5}-8{\times}10^{-5}\;cm/sec$ and no difference was found among the packing materials. The transport and dispersion coefficients determined from the curve-fitting of the breakthrough curves of $Br^-$ using CXTFIT 2.1 showed no difference between single-region and two-region models. The reductive dechlorination of PCE was efficiently occurred in all columns. Among the columns, especially the column packed with vermicompost exhibited the highest reductive dechlorination efficiency. The results of this study showed the promising potential of in situ biobarrier technology using peat and vermicompost for the remediation of groundwater contaminated with chlorinated solvents.

Inhibition of Biological Perchlorate Reduction by Nitrate and Oxygen (질산염과 산소에 의한 생물학적 퍼클로레이트 환원의 저해)

  • Choi, Hyeok-Sun
    • Journal of Soil and Groundwater Environment
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    • v.14 no.6
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    • pp.29-34
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    • 2009
  • In this study, a chloride ion probe as a direct measurement for perchlorate reduction was used to determine whether biological perchlorate reduction was inhibited by other electron acceptors ($O_2$ and ${NO_3}^-$) and to investigate competition of electron acceptors for using electron donors. Profiles of chloride production (= perchlorate reduction) in flasks containing perchlorate reducing populations were monitored by a chloride ion probe. Biological reduction of 2 mM perchlorate was inhibited by 2 mM nitrate that chloride production rate was decreased by 30% compared to perchlorate used as the only electron acceptor and chloride production rate was decreased by 70% when acetate was limited. Reduction of 2mM perchlorate was completely inhibited by oxygen at 7~8 mg/L, regardless of acetate excess / limitation.

A Study on the Charge Transfer Complex Formed between 2,4-Dihalogen or 2,4,6-trihalogenanisole Derivatives and Iodine or Iodine Monochloride (2,4-디할로겐 또는 2,4,6-트리할로겐아니솔 유도체들과 요오드 또는 염화요오드 사이에 생성된 전하이동 착물에 관한 연구)

  • Kim, You Sun;Park, Kyung Bae
    • Journal of the Korean Chemical Society
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    • v.20 no.5
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    • pp.380-390
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    • 1976
  • The trends of forming a charge transfer complex have been studied for electron donors such as anisole, 4-chloroanisole, 2,4-dichloroanisole, 2-fluoro-4-chloroanisole, 2-bromo-4-chloroanisole, 2-iodo-4-chloroanisole, 2-fluoro-4,6-dichloroanisole, 2,4,6-trichloroanisole, 2-bromo-4,6-dichloroanisole, 2-iodo-4,6-dichloroanisole, and 2-iodo-4,5,6-trichloroanisole, and electron acceptors such as iodine and iodine monochloride in the carbon tetrachloride or the hexane solvent system. It was found that the formation of a charge transfer complex was influenced by the Van der Waals Radii of the 2-halogen atoms on the benzene ring and further the overall steric moiety of the molecule of the electron donor. These trends were also experienced in a system of chloroform and one of the prementioned electron donor by means of a nuclear magnetic resonance spectrometry. The spectrophotometrical data on the formation of the charge transfer complex were presented and the results were discussed with views of the steric structure of the 2-halogen atom on the benzene ring.

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Effects of pH on Purification of GFPuv/Cytochrome c-552 Fusion Protein

  • Lee, Sang-On;Hong, Eul-Jae;Choe, Jeong-U;Hong, Eok-Gi
    • 한국생물공학회:학술대회논문집
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    • 2003.04a
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    • pp.539-542
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    • 2003
  • Fusion gene of GFPuv and Cytochrome c-552 was inserted into the pTrcHis B vector and transferred to E. coli. A fusion protein of GFPuv and Cytochrome c-552 was expressed in BL21. This fusion protein was composed of a His-tag for purification using an immobilized metal affinity chromatography(IMAC). IMAC constitutes a rather facile means of unravelling the principles of recognition and, in particular, of identifying the counterligands on the protein surface, which interact with the ligated and immobilized metal ions. Histidine when present on the surface of a protein molecule under a favorable solvent condition, may serve as electron donors in coordination with the immobilized chelates of some transition metal ions$(Ni^{2+})$.

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Weak Interactions Between Organic Molecules and Alkali Metal Ions Present in Zeolites Help Manipulate the Excited State Behavior of Organic Molecules

  • Ramamurthy, V.
    • Journal of Photoscience
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    • v.10 no.1
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    • pp.127-148
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    • 2003
  • Zeolite is a porous highly interactive matrix. Zeolitic cations help to generate triplets from molecules that possess poor intersystem crossing efficiency. Certain zeolites act as electron acceptors and thus can spontaneously generate radical cations. Zeolites also act as proton donors and thus yield carbocations without any additional reagents. These reactive species, radical cations and carbocations, have long lifetime within a zeolite and thus lend themselves to be handled as ‘regular’ chemicals. Internal structure of zeolites is studded with cations, the counter-ions of the anionic framework. The internal constrained structure and the cations serve as handles for chemists to control the behavior of guest molecules included within zeolites.

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C-H Arylation of Nitroimidazoles and Nitropyrazoles Guided by the Electronic Effect of the Nitro Group

  • Jung, Haeun;Bae, Seri;Jang, Ha-Lim;Joo, Jung Min
    • Bulletin of the Korean Chemical Society
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    • v.35 no.10
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    • pp.3009-3014
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    • 2014
  • A palladium-catalyzed C-H arylation reaction of nitroimidazoles and nitropyrazoles was developed using aryl bromides as arene donors. The electron-withdrawing effect of the nitro group allows for direct C-H arylation reactions of the nitro diazoles with high regioselectivity under mild conditions. The new C-H arylation approach is thus complementary to nucleophilic substitution reactions, enabling the preparation of complex nitroazole compounds.

Thermoelectric Properties of CoSb3-yTey Prepared by Encapsulated Induction Melting (밀폐유도용해로 제조한 CoSb3-yTey의 열전특성)

  • Kim, Mi-Jung;Shim, Woo-Seop;Ur, Soon-Chul;Kim, Il-Ho
    • Korean Journal of Materials Research
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    • v.16 no.7
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    • pp.412-415
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    • 2006
  • Te-doped $CoSb_3$ was prepared by the encapsulated induction melting, and its doping effects on the thermoelectric properties were investigated. Single phase ${\delta}-CoSb_3$ was successfully obtained by the subsequent annealing at 773 K for 24 hrs. Tellurium atoms acted as electron donors by substituting antimony atoms. Thermoelectric properties were remarkably improved by the appropriate doping. Dimensionless figure of merit was obtained to be 0.83 at 700K for the $CoSb_{2.8}Te_{0.2}$ specimen.