شماره ركورد كنفرانس :
5328
عنوان مقاله :
Anisotropic wetting characteristics of water droplet on phosphorene: A molecular dynamics simulation approach
پديدآورندگان :
Foroutan Masumeh Department of Physical Chemistry, School of Chemistry, College of Science, University of Tehran, Tehran, Iran. , Mostafavi Bavani Borhan Department of Physical Chemistry, School of Chemistry, College of Science, University of Tehran, Tehran, Iran.
كليدواژه :
Black phosphorene , Anisotropic , zigzag and armchair directions , Reactive molecular dynamics simulations.
عنوان كنفرانس :
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
چكيده فارسي :
In this study, using reactive molecular dynamics (MD) simulations, we investigated the structure and dynamic properties of water on the black phosphorene. Our simulations indicate that the diffusion of water molecules on the black phosphorene surface is anisotropic, which is in agreement with the recently reported experimental data. Moreover, the contact angle of water on phosphorene is proportional to the zigzag and armchair directions of surface. These findings thereby offer helpful insights into the mechanism of the wetting and transport of water at nanoscale, and provide a better foundation for future biomedical applications of phosphorene.
