Quantum chemical modeling of the structure and properties of SnO₂ nanoclusters

By the method of density functional theory with exchange-correlation functional B3LYP and basis set 3?21G (d), the structural and energy characteristics have been considered of the molecular models of SnO2 nanoclusters of different size and composition with the number of Sn atoms from 1 to 10. Inco...

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Podrobná bibliografie

Hlavní autoři:	O. V. Filonenko, A. G. Grebenyuk, V. V. Lobanov
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Chuiko Institute of Surface Chemistry of NAS of Ukraine 2021-11-01
Edice:	Хімія, фізика та технологія поверхні
Témata:	SnO2 crystal structure solid state thermochemistry density functional theory cluster model
On-line přístup:	https://cpts.com.ua/index.php/cpts/article/view/598
Tagy:	Přidat tag Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!