Comparative reactivity of AIVBVI compounds in their reactions with dioxygen

The interaction of A IV B VI semiconductors with molecular oxygen has been investigated theoretically (by first-principles calculations using density functional theory) and experimentally (by X-ray photoelectron spectroscopy). It is demonstrated by correlating calculated and experimental data that t...

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Veröffentlicht in:	Russian journal of inorganic chemistry 2011-08, Vol.56 (8), p.1284-1289
Hauptverfasser:	Volykhov, A. A., Yashina, L. V., Zyubina, T. S., Shtanov, V. I., Neudachina, V. S., Püttner, R., Zyubin, A. S.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Correlation Density functional theory Inorganic Chemistry Mathematical models Photoelectron spectroscopy Semiconductors Solid phases Theoretical Inorganic Chemistry X-rays
Online-Zugang:	Volltext
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