Static density functional study of graphene-hexagonal bilayer ice interaction.
作者： David J. Anick
DOI: 10.1021/JP500360N
关键词: Hexagonal crystal system 、 Chemical physics 、 Chemistry 、 Bilayer 、 Ab initio 、 Graphene
摘要: Periodic static ab initio studies are conducted of hexagonal bilayer ice (HBL) and basal layers ice-1h adsorbed on graphene using the model BLYP-D in CRYSTAL09. Eight high-symmetry periodic form...
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