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Search Results for Collection: School of Chemical and Bioprocess Engineering
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(Elsevier, 2009-10)Non-equilibrium molecular dynamics (NEMD) simulations have been performed for static electric fields for a range of positively charged spherical rutile–titania nanoparticles with radii of 1.5 to 2.9 nm for two different ...
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(ACS Publications, 2009-04-20)The electronic properties and photocatalytic activity of S and/or Bi-doped anatase TiO2 are investigated by first-principles density functional theory calculations. For S-doped TiO2, S 3p states locate above the top of the ...
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(American Physical Society, 2009-09-22)Based on first-principles calculations, we have investigated the magnetic properties of the first-row element-doped ZnS semiconductors. Calculations reveal that Be, B, and C dopants can induce magnetic, while N cannot lead ...
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(Elsevier, 2009-07-29)The electronic properties and photocatalytic activity of X (N, C) / transition metal (TM=Ta, Hf, Fe) – codoped anatase TiO2 have been investigated using density functional theory. It was found that only the (N, Ta)-codoping ...
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(American Institute of Physics, 2009-04-02)The electronic properties and photocatalytic activity of nitrogen (N) and/or tungsten (W)-doped anatase are calculated using density functional theory. For N-doping, isolated N 2p states above the top of the valence band ...
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(Elsevier, 2009-12-28)Based on first-principles calculations, we have studied the occurrence of spin polarization in the magnetic metal oxide SnO2 doped with nonmagnetic nitrogen (N) impurities. It was found that the local magnetic moments are ...
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(ACS Publications, 2009-04-20)The energetic and electronic properties of various P doping configurations at the rutile TiO2 (110) surface are investigated by first-principles density functional theory (DFT) calculations. Several substitution and ...
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(ACS Publications, 2009-09-15)The structural, energetic and electronic properties of various S doping configurations by substitution and adsorption at the rutile TiO2 (110) surface have been investigated by first-principles density functional theory ...
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(Wiley, 2009-08-01)Biofilm-related research using 96-well microtiter plates involves static incubation of plates indiscriminate of environmental conditions, making oxygen availability an important variable which has not been considered to ...
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(ASM, 2009-01)Using a modified rotating-disk reactor to sparge oxygen to Staphylococcus epidermidis cultures, we found that oxygen negatively regulates biofilm development by influencing the activity of {sigma}B. Under anaerobic conditions, ...