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pro vyhledávání: '"Freddy Marcillo"'
Density functional theory and generalized gradient approximation including a Hubbard-like term was used in the present work to analyse p-type electrical conductivity as well as the switch of n-type → p-type conductivity in the ZnO materials. Result
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf3a4fc1bd3c4e931d565a627bd47388
http://essuir.sumdu.edu.ua/handle/123456789/65786
http://essuir.sumdu.edu.ua/handle/123456789/65786
Publikováno v:
International Journal of Modern Physics B. 31:1750111
Density functional theory (DFT) and generalized gradient approximation (GGA) have been employed to study origins of the intrinsic [Formula: see text]-type electrical conductivity in the zinc oxide. Hubbard-like term has been introduced to provide a b
Publikováno v:
Lecture Notes in Electrical Engineering ISBN: 9789400776838
First-principles calculations based on the density functional theory (DFT) within the generalized gradient approximation (GGA), and the introduction of intra-atomic interaction term for strongly correlated \(d\)-electrons (DFT+\(U)\), have been utili
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b41e4e34f22efa31d280369408127afb
https://doi.org/10.1007/978-94-007-7684-5_2
https://doi.org/10.1007/978-94-007-7684-5_2
Publikováno v:
Repositorio Universidad Técnica Particular de Loja
Universidad Técnica Particular de Loja
instacron:UTPL
Universidad Técnica Particular de Loja
instacron:UTPL
Present work is based on the density functional theory (DFT) and generalized gradient approximation studies. Different adsorption geometries of dopamine, C 8 H 11 O 2 N , on the anatase (101) surface have been considered and carefully investigated. B
Autor:
Arvids Stashans, Freddy Marcillo
Publikováno v:
Repositorio Universidad Técnica Particular de Loja
Universidad Técnica Particular de Loja
instacron:UTPL
Universidad Técnica Particular de Loja
instacron:UTPL
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 differe