Based on our previous studies, the reconstruction of interlayer edges of black phosphorene (BP) is identified as a key factor impeding the growth of large-size BP films through the CVD method. In this study, we systematically explore the complex growth mechanisms of BP, specifically focusing on how edge reconstruction influences the growth of BP. The results reveal that BP with reconstructed edges is highly stable. Growth necessitates initially opening a unit at the reconstructed edge, requiring a higher energy barrier than that of pristine BP without reconstructed edges. Despite this challenge, overcoming it facilitates subsequent phosphorus atom additions, thereby promoting favorable growth conditions for reconstructed-edge BP. Overall, our research highlights the interplay between edge reconstruction and BP growth dynamics, offering insights for the rational design and synthesis of large-area, high-quality monolayer BP, thus advancing its potential in electronic and optoelectronic applications.

中文翻译：

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边缘重构对黑磷烯生长机制的影响


根据我们以前的研究，通过 CVD 方法确定黑磷烯 （BP） 层间边缘的重建是阻碍大尺寸 BP 薄膜生长的关键因素。在这项研究中，我们系统地探讨了 BP 的复杂生长机制，特别关注边缘重建如何影响 BP 的生长。结果表明，具有重建边缘的 BP 高度稳定。生长需要最初在重建边缘打开一个单元，这需要比没有重建边缘的原始 BP 更高的能量屏障。尽管存在这一挑战，但克服它有助于随后的磷原子添加，从而促进重建边缘 BP 的有利生长条件。总体而言，我们的研究强调了边缘重建和 BP 生长动力学之间的相互作用，为大面积、高质量单层 BP 的合理设计和合成提供了见解，从而推进其在电子和光电应用中的潜力。