DFT calculations of tin dioxide crystals containing heavily-doped fluorine
First-principles calculations based on the density functional theory (DFT) within the generalized gradient approximation have been used in the present research. Fluorine doping in the SnO2 crystals has been carried out considering a number of different defect concentrations. Dopant influence upon st...
Uloženo v:
| Hlavní autor: | Stashans, A. (author) |
|---|---|
| Další autoři: | Marcillo, F. (author) |
| Médium: | article |
| Vydáno: |
2014
|
| Témata: | |
| On-line přístup: | http://dspace.utpl.edu.ec/handle/123456789/19013 |
| Tagy: |
Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!
|
Podobné jednotky
-
Periodic DFT study of molecular crystals
Autor: Rivera Escobar, R.
Vydáno: (2013) -
Large hole polarons in Sc-doped TiO2 crystals
Autor: Stashans, A.
Vydáno: (2013) -
Physical and chemical properties of a Ga-doped ZnO crystal
Autor: Stashans, A.
Vydáno: (2011) -
Quantum-chemical study of nitrogen and magnesium co-doping in ?-Cr2O3
Autor: Stashans, A.
Vydáno: (2016) -
SnO2 Physical and Chemical Properties due to the impurity doping
Autor: Rivera Escobar, R.
Vydáno: (2013)