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...

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Bibliografiska uppgifter
Huvudupphovsmän: Winkler, B, Avalos-Borja, M, Milman, V, Perlov, A, Pickard, C, Yates, JR
Materialtyp: Journal article
Språk:English
Publicerad: 2013