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. Author manuscript; available in PMC: 2019 Feb 15.
Published in final edited form as: J Phys Chem C Nanomater Interfaces. 2018 Jan 29;122(6):3341–3349. doi: 10.1021/acs.jpcc.7b10234

Figure 4.

Figure 4

Atomic density of formamide molecules in the kaolinite interlayer normal to the interlayer surface obtained from MD simulations for kaolinite–formamide complexes with basal spacings of (a) 9.6, (b) 10.6, and (c) 14 Å. H-Kao and O-Kao represent the hydrogen atoms of hydroxyl groups on the octahedral surface of the lower kaolinite layer and the basal oxygen atoms on the tetrahedral surface of the upper kaolinite layer in the kaolinite–formamide complex model (Figure 1). The origin of the coordinate is located in the middle plane of the interlayer space.