Time for another image of the week from a paper recently publishing in JPhysD examining a two-dimensional (2D) material. This time, single-layer phosphorene whose superior physical and electrical properties make it a popular choice for several applications including solar cells, field effect transistors (FETs) and in Li-ion batteries. However, it’s mechanical properties — such as a low Young’s modulus and fracture strength — may limit its suitability in future nanodevices.
Collaborators from Xi’an, Singapore and Shanghai have employed molecular dynamics (MD) simulations to examine and understand phosphorene’s mechanical properties and fracture behaviour at finite temperatures. They find temperature plays a significant role, with the fracture strength and strain diminishing by more than 65% when increasing the temperature from absolute zero (0 K) to 450 K. Thermal sensitivity also depends on the phosphorene structure; zigzag or armchair and propagation of structural cracks also vary depending on the direction: along a groove for the armchair direction (see figure) or multiple cracks with rough fracture surfaces for the zigzag direction.
This work is licensed under a Creative Commons Attribution 3.0 Unported License. Images: Zhen-Dong Sha et al 2015 J. Phys. D: Appl. Phys. 48 395303 copyright IOP Publishing Ltd 2015
Categories: Journal of Physics D: Applied Physics