Fig. 2: Schematic preparation of the RO membrane and MD simulations to unveil self-assembly behavior of CdII/L-cysteine nanowires. | Nature Communications

Fig. 2: Schematic preparation of the RO membrane and MD simulations to unveil self-assembly behavior of CdII/L-cysteine nanowires.

From: Amphiphilic nanowire-assisted monomer shuttling enables ultra-selective reverse osmosis membranes for water purification

Fig. 2

a Preparation procedure of the RO membrane with self-assembled CdII/L-cysteine interface. MD simulations of self-assembly of CdII/L-cysteine nanowires at the water/n-hexane interface: b initial MD models (nanowires immersed randomly in the n-hexane) and c ultimate MD models. Top-view snapshot of the self-assembly process taken at every 10 ns for a total duration of 30 ns: d 0 ns; e 10 ns; f 20 ns; and g 30 ns. h The coverage rate (CR) of nanowires at the water/n-hexane interface over self-assembly time (MD simulation process). i Changes in the number of hydrogen bonds between CdII/L-cysteine nanowires as a function of self-assembly time (red curve is the fitting, fit model: ExpDec2, R2: 90.27%). Error bars in h represent the standard deviations (s.d.) (n = 3) and data are presented as mean values ± s.d. Source data are provided as a Source Data file.

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