self-assembly of Helical structure by defected nanosheet

self-assembly of Helical structure by defected nanosheet

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A helical nanosturctrue can be obtained by self-assembly method. Utilizing DPD simulation coarse-grained model, we patterned 2D layer nanosheets with repeated diagonal defects and grafts, and programed to self-roll into hollow helix structure. The defected pattern side caused anisotropy, and formed helix or helix-like structure. This opens the possibility to control the helix pitch or cavity radius. In this work, we designed several patterns about diagonal defect with a variety of defect side densities and defect widths and then simulation was carried out. Thus, our results have that parameters are affecting self-assembly of nanosheets and their conformation.
경진대회: 계산화학 계산화학 » 5회 경진대회
태그: dpd_linear_polymer
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17. 8. 29 오후 12:55
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A helical nanosturctrue can be obtained by self-assembly method. Utilizing DPD simulation coarse-grained model, we patterned 2D layer nanosheets with repeated diagonal defects and grafts, and programed to self-roll into hollow helix structure. The defected pattern side caused anisotropy, and formed helix or helix-like structure. This opens the possibility to control the helix pitch or cavity radius. In this work, we designed several patterns about diagonal defect with a variety of defect side densities and defect widths and then simulation was carried out. Thus, our results have that parameters are affecting self-assembly of nanosheets and their conformation.
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