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...

Полное описание

Библиографические подробности
Главные авторы: Winkler, B, Avalos-Borja, M, Milman, V, Perlov, A, Pickard, C, Yates, JR
Формат: Journal article
Язык:English
Опубликовано: 2013