Oxygen K-edge electron energy loss spectra of hydrous and anhydrous compounds.

First-principles calculations have been employed to examine the possible use of electron energy loss spectroscopy (EELS) as a tool for determining the presence of OH groups and hence hydrogen content in compounds. Our density functional theory (DFT) based calculations describe accurately the experim...

Ausführliche Beschreibung

Bibliographische Detailangaben
Hauptverfasser: Winkler, B, Avalos-Borja, M, Milman, V, Perlov, A, Pickard, C, Yates, JR
Format: Journal article
Sprache:English
Veröffentlicht: 2013