Abstract The newly discovered two-dimensional phosphorene suffers low stretchability which limits its application in flexible devices. Herein we employ kirigami technique to overcome this limitation. Molecular dynamics simulation is employed to investigate the mechanical properties of kirigami-phosphorene under shear and tensile loadings. Our simulation results show that loading type, intrinsic structural anisotropy, and the height of middle cuts are three key factors that govern the mechanical response of kirigami-phosphorene. Under the tensile loading along the armchair direction, phosphorene exhibits a considerable increase in its tensile strain. By contrast, phosphorene is too weak to stand any structural modification induced by kirigami in the zigzag direction. Under shear loading, there is merely no improvement in the shear properties of kirigami-phosphorene. Our results demonstrate the prospective applications of kirigami-phosphorene along the armchair direction in modern wearable, and stretchable electronics and optoelectronics devices.

中文翻译：

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基于分子动力学模拟的剪纸磷烯的力学性能

摘要 新发现的二维磷烯拉伸性低，限制了其在柔性器件中的应用。在这里，我们采用剪纸技术来克服这一限制。采用分子动力学模拟来研究剪纸-磷烯在剪切和拉伸载荷下的机械性能。我们的模拟结果表明，加载类型、固有结构各向异性和中间切口的高度是控制 kirigami-磷烯力学响应的三个关键因素。在沿扶手椅方向的拉伸载荷下，磷烯的拉伸应变显着增加。相比之下，磷烯太弱，无法承受锯齿形方向上由剪纸引起的任何结构改变。在剪切载荷下，kirigami-phosphorene 的剪切性能只是没有改进。我们的研究结果证明了剪纸磷烯在现代可穿戴、可拉伸电子和光电子设备中沿扶手椅方向的前瞻性应用。