Impact of Transition Metal Cations on the 29Si NMR Signal in Metal Oxide Glasses: A DFT Case Study of Hafnia Silica Glass
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DOI: 10.1021/acs.jpcc.7b06094
Abstract: We investigate 29Si nuclear magnetic resonance (NMR) chemical shifts δiso of soda-silica and hafnia-soda-silica glass models by structural modeling and the gauge-invariant projector augmented wave (GIPAW) method within density functional theory (DFT). Models of soda-silica… read more here.
Keywords: hafnia; soda silica; silica glass; silica ... See more keywords