Ab initio thermochemistry study of polymorphism in the Si2N2(NH) analog of Si2N2O
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DOI: 10.1016/j.commatsci.2021.110772
Abstract: Abstract We present a systematic density functional theory (DFT) study of the structural, bonding and electronic properties of the Si2N2(NH) polymorphs. This recently synthesized compound is a direct analog of Si2N2O in which the oxygen… read more here.
Keywords: analog; tetragonal monoclinic; polymorphs; study ... See more keywords