Modelling of neutral vacancies in forsterite mineral
Density functional theory and generalized gradient approximation have been employed to study Mg, Si and O vacancies in the Mg2SiO4 forsterite mineral. Microstructure of defect equilibrium geometries, electronic properties as well as chemical bonding in the region surrounding each one of the vacancie...
में बचाया:
| मुख्य लेखक: | Stashans, A. (author) |
|---|---|
| स्वरूप: | article |
| प्रकाशित: |
2013
|
| विषय: | |
| ऑनलाइन पहुंच: | http://dspace.utpl.edu.ec/handle/123456789/19164 |
| टैग: |
कोई टैग नहीं, इस रिकॉर्ड को टैग करने वाले पहले व्यक्ति बनें!
|
समान संसाधन
-
DFT calculations of tin dioxide crystals containing heavily-doped fluorine
द्वारा: Stashans, A.
प्रकाशित: (2014) -
First principles studies of topological defective graphene-based superlattices with H adatoms and C vacancies
द्वारा: Cabrera Loor, Leonel Ángel
प्रकाशित: (2024) -
Large hole polarons in Sc-doped TiO2 crystals
द्वारा: Stashans, A.
प्रकाशित: (2013) -
Quantum-chemical study of nitrogen and magnesium co-doping in ?-Cr2O3
द्वारा: Stashans, A.
प्रकाशित: (2016) -
Effects of vanadium impurity on TiO2 properties
द्वारा: Stashans, A.
प्रकाशित: (2015)