Liquefaction of water on the hydrophobic surface of black phosphorene: A reactive molecular dynamics simulation

Masumeh Foroutan,Borhan Mostafavi Bavani,Ahmad Boudaghi

Social Science Research Network（2022）

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摘要

(1) Three snapshots of initial stages of the water cluster formation on the black phosphorene surface from the top view, (2) Contour map of water molecules' dipole moment (left) and final configuration of ten water molecules on the phosphorene surface (right).

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关键词

Liquefaction,Black phosphorene,Hydrophobic surface,Reactive molecular dynamics simulation,Dipole moment,Armchair and zigzag directions

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