影响因子：4.996
DOI码：10.1038/srep38327
发表刊物：Scientific Reports (JCR 2区《Nature》旗下期刊)
摘要：Phosphorene, a newly fabricated two-dimensional (2D) nanomaterial, has emerged as a promising material for biomedical applications with great potential. Nonetheless, understanding the wetting and diffusive properties of bio-fluids on phosphorene which are of fundamental importance to these applications remains elusive. In this work, using molecular dynamics (MD) simulations, we investigated the structural and dynamic properties of water on both pristine and strained phosphorene. Our simulations indicate that the diffusion of water molecules on the phosphorene surface is anisotropic, with strain-enhanced diffusion clearly present, which arises from strain-induced smoothing of the energy landscape. The contact angle of water droplet on phosphorene exhibits a non-monotonic variation with the transverse strain. The structure of water on transverse stretched phosphorene is demonstrated to be different from that on longitudinal stretched phosphorene. Moreover, the contact angle of water on strained phosphorene is proportional to the quotient of the longitudinal and transverse diffusion coefficients of the interfacial water. 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.
第一作者：Wei Zhang*
合写作者：Chao Ye,Linbi Hong,Zaixing Yang,Ruhong Zhou*
论文编号：38327
卷号：6
页面范围：38327
是否译文：否
发表时间：2016-12-06
收录刊物：SCI
发布期刊链接：https://www.nature.com/articles/srep38327