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Two-Dimensional Black Phosphorus Carbide: Rippling and Formation of Nanotubes
The allotropes of a new layered material, phosphorus carbide (PC), have been predicted recently, and a few of these predicted structures have already been successfully fabricated. Herein, by using first-principles calculations, we investigate the effects of rippling an α-PC monolayer, one of the most stable modifications of layered PC, under large compressive strains. Similar to phosphorene, layered PC is found to have the extraordinary ability to bend and form ripples with large curvaturesdoi:10.1021/acs.jpcc.0c01890.s002 fatcat:bq73lwtg6jg7xgffefcobbos6m