981 resultados para ANION-EXCHANGE
Calculation of semiconductor band structures and defects by the screened exchange density functional
Resumo:
Salinity, fresh water and sea level data from the Negombo Lagoon with respect to oceanic sea level and salinity data were considered. The open ocean spring tidal range was 0.57 m, whereas the neap tidal range was 0.10 m. In lagoon, the corresponding spring tidal range was 0.13 m and neap tidal range is 0.05 m. The lagoon tide was strongly choked because of the restricted inlet channel, through which only a limited water exchange could take place over a tidal cycle. Mean water exchange and the residence times for variable fresh water supplies were calculated. These calculations were based on fortnightly measurements of salinity and river discharges in 1993. During this year, salinity varied from 30-5‰ depending on the river inputs which were 20-225 m³ sˉ¹. Corresponding residence times varied from 11-2 days and the tide is dominated the exchange during low discharges of freshwater.
Resumo:
India's export earnings from fishery products have touched an all-time record of Rs. 33.07 crores in 1969. The most important items which have contributed to this are processed prawn products, frozen lobster tails and frozen frog legs. Even though frogs are not of marine origin, they are processed and exported along with marine products so that for all practical purposes they are reckoned as seafood. Naturally, it is sure to be of absorbing interest to the processors and technological research workers as well as to the general public to know how many varieties/species of these occur in our country and also the localities where they are available. The following is an exhaustive list of the different species of prawns, lobsters and frogs that are found in our country, together with vernacular names wherever available, parts of India where they occur and the largest size (length) to which they grow. The figures in brackets on the left side show the progressive total. The different genera have been arranged in the order of their commercial importance and not according to any scientific principles.
An investigation into the information exchange between a consultant and client company: a case study
Resumo:
This report deals with collaborations of engineering consultants and clients in the automobile industry.
In these relationships three main challenges have been identified which have to be addressed by the consultancies. Therefore, the research takes the viewpoint of the consulting side. The challenges are
(i) the appropriate project goal definition;
(ii) achieving client satisfaction; and
(iii) dealing with international clients.
An investigation of such a relationship carried out on a case study shows that improvements can be achieved through communication support. The ways to do that are proposed.
Resumo:
Collaboration between Thailand and Myanmar fisheries scientists with the goal of developing an artificial breeding program to promote a sustainable Hilsa (Tenualosa ilisha) fishery. This report was prepared in Thai by Mr Suttichai Rittitum and translated into English and Burmese by the SEAFDEC Secretariat.
Resumo:
The electronic and magnetic properties of the transition metal sesqui-oxides Cr(2)O(3), Ti(2)O(3), and Fe(2)O(3) have been calculated using the screened exchange (sX) hybrid density functional. This functional is found to give a band structure, bandgap, and magnetic moment in better agreement with experiment than the local density approximation (LDA) or the LDA+U methods. Ti(2)O(3) is found to be a spin-paired insulator with a bandgap of 0.22 eV in the Ti d orbitals. Cr(2)O(3) in its anti-ferromagnetic phase is an intermediate charge transfer Mott-Hubbard insulator with an indirect bandgap of 3.31 eV. Fe(2)O(3), with anti-ferromagnetic order, is found to be a wide bandgap charge transfer semiconductor with a 2.41 eV gap. Interestingly sX outperforms the HSE functional for the bandgaps of these oxides.
Resumo:
The formation energies of the oxygen vacancy and titanium interstitial in rutile TiO 2 were calculated by the screened-exchange (sX) hybrid density functional method, which gives a band gap of 3.1 eV, close to the experimental value. The oxygen vacancy gives rise to a gap state lying 0.7 eV below the conduction band edge, whose charge density is localized around the two of three Ti atoms next to the vacancy. The Ti interstitial (Ti int) generates four defect states in the gap, whose unpaired electrons lie on the interstitial and the adjacent Ti 3d orbitals. The formation energy for the neutral oxygen vacancy is 1.9 eV for the O-poor chemical potential. The neutral Ti interstitial has a lower formation energy than the O vacancy under O-poor conditions. This indicates that both the O vacancy and Ti int are relevant for oxygen deficiency in rutile TiO 2 but the O vacancy will dominate under O-rich conditions. This resolves questions about defect localization and defect predominance in the literature. © 2012 American Physical Society.
Accurate screened exchange band structures for the transition metal monoxides MnO, FeO, CoO and NiO.
Resumo:
We report calculations of the band structures and density of states of the four transition metal monoxides MnO, FeO, CoO and NiO using the hybrid density functional sX-LDA ('screened exchange local density approximation'). Late transition metal oxides are prototypical examples of strongly correlated materials, which pose challenges for electronic structure methods. We compare our results with available experimental data and show that our calculations generally yield accurate predictions for the fundamental band gaps and valence bands, in favourable agreement with previously reported theoretical studies. For MnO, the band gaps are still underestimated, suggesting additional many-body effects that are not captured by our screened hybrid functional approach.
Resumo:
Although studies on carbon burial in lake sediments have shown that lakes are disproportionately important carbon sinks, many studies on gaseous carbon exchange across the water-air interface have demonstrated that lakes are supersaturated with CO2 and CH4 causing a net release of CO2 and CH4 to the atmosphere. In order to more accurately estimate the net carbon source/sink function of lake ecosystems, a more comprehensive carbon budget is needed, especially for gaseous carbon exchange across the water-air interface. Using two methods, overall mass balance and gas exchange and carbon burial balance, we assessed the carbon source/sink function of Lake Donghu, a subtropical, eutrophic take, from April 2003 to March 2004. With the overall mass balance calculations, total carbon input was 14 905 t, total carbon output was 4950 1, and net carbon budget was +9955 t, suggesting that Lake Donghu was a great carbon sink. For the gas exchange and carbon burial balance, gaseous carbon (CO2 and CH4) emission across the water-air interface totaled 752 t while carbon burial in the lake sediment was 9477 t. The ratio of carbon emission into the atmosphere to carbon burial into the sediment was only 0.08. This low ratio indicates that Lake Donghu is a great carbon sink. Results showed good agreement between the two methods with both showing Lake Donghu to be a great carbon sink. This results from the high primary production of Lake Donghu, substantive allochthonous carbon inputs and intensive anthropogenic activity. Gaseous carbon emission accounted for about 15% of the total carbon output, indicating that the total output would be underestimated without including gaseous carbon exchange. (C) 2007 Elsevier Ltd. All rights reserved.