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Description
| - A thermodynamic study of selected transition metals (TM=Cr, Mn, Fe and Co) solubility in ZnO based on the assessment of available thermodynamic data and ab-initio calculations in the respective TM-Zn-O systems is presented. The ab-initio DFT calculations of enthalpies of formation of the involved phases and the energies of substitution defect (TM-Zn) formation were performed using WIEN2k code. The assessed thermodynamic data are subsequently used for calculation of phase equilibria and construction of the respective pO2-T-x phase diagram (FactSage software). Whereas the solubility of Mn, Fe, and Co in ZnO is found not to exceed 1 mol% at low temperatures, the homogeneity range is substantially enlarged at elevated temperatures. By contrast, the solubility of Cr turned out to be negligible in the relevant range of T and pO2.
- A thermodynamic study of selected transition metals (TM=Cr, Mn, Fe and Co) solubility in ZnO based on the assessment of available thermodynamic data and ab-initio calculations in the respective TM-Zn-O systems is presented. The ab-initio DFT calculations of enthalpies of formation of the involved phases and the energies of substitution defect (TM-Zn) formation were performed using WIEN2k code. The assessed thermodynamic data are subsequently used for calculation of phase equilibria and construction of the respective pO2-T-x phase diagram (FactSage software). Whereas the solubility of Mn, Fe, and Co in ZnO is found not to exceed 1 mol% at low temperatures, the homogeneity range is substantially enlarged at elevated temperatures. By contrast, the solubility of Cr turned out to be negligible in the relevant range of T and pO2. (en)
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Title
| - Thermodynamic aspects of transition metals doped ZnO
- Thermodynamic aspects of transition metals doped ZnO (en)
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skos:prefLabel
| - Thermodynamic aspects of transition metals doped ZnO
- Thermodynamic aspects of transition metals doped ZnO (en)
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skos:notation
| - RIV/60461373:22310/11:43889913!RIV12-MSM-22310___
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http://linked.open...avai/predkladatel
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/60461373:22310/11:43889913
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - spintronic; electronic structure; phase equilibria (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Sofer, Zdeněk
- Leitner, Jindřich
- Sedmidubský, David
- Huber, Štěpán
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issn
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number of pages
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http://bibframe.org/vocab/doi
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http://localhost/t...ganizacniJednotka
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is http://linked.open...avai/riv/vysledek
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