Defects in TiO2 crystals

Defects in TiO2 crystals

TiO2 crystals, anatase and rutile, have been studied using Density Functional Theory (DFT) and the Generalized Gradient Approximation (GGA). Also, the intraatomic interaction term for strongly correlated d-electrons (DFT+U approximation) has been utilized for a proper description of the Ti d-electro...

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Gorde:
Xehetasun bibliografikoak
Egile nagusia: Rivera Escobar, R. (author)
Beste egile batzuk: Stashans, A. (author)
Formatua: article
Argitaratua: 2013
Gaiak:
anatase structures
band gap reduction
crystalline lattice
electrical conductivity
electronic and magnetic properties
generalized gradient approximations
impurity doping
tio
Sarrera elektronikoa:http://dspace.utpl.edu.ec/handle/123456789/19187
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http://dspace.utpl.edu.ec/handle/123456789/19187

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