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