Структура димерних адсорбційних комплексів Ge на грані Si(001)

• Datum: 2013
• Hauptverfasser: Tkachuk, O. I., Terebinska, M. I., Lobanov, V. V.
• Format: Artikel
• Sprache: Ukrainisch
• Veröffentlicht: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2013
• Online Zugang: https://surfacezbir.com.ua/index.php/surface/article/view/502
• Назва журналу: Surface

DFT method (B3LYP, 6-31G**) calculated equilibrium spatial cluster structure Si96H84, relaxed fragment reproducing the Si(001) (4×2), and adsorption complexes Ge atoms and dimer by Ge2 face Si (001). Determination of types of active centers face Si(001) (4×2), in which there is a germanium atomic ad...