Nothing like starting the new year off with a publication!
We present a #FirstPrinciples model of amorphous Al2O3 which reproduces the features of experimental 27Al #NMR and Al K-edge #XAS spectra on an #ALD -deposited sample of amorphous Al2O3.
#firstprinciples #NMR #xas #ald #compchem #openaccess #battchatt #spectroscopy