Recently, multilayered WSe₂ patterns consisting of a mixture of curved and linear edge segments and a mixture of cusps and apices have been obtained by combining chemical vapor deposition growth and etching. The underlying mechanisms and kinetics of the formation of such fascinating patterns, however, remain elusive. Here, we formulate a kinetic Monte Carlo model aiming at revealing the etching mechanisms and kinetics and understanding the pattern formation. In the formulation, the etching starts at both the cusp and apex positions and propagates through dent nucleation and propagation along the edges. All the energetic parameters are determined from experimental etching rates. Using the formulated mechanisms, kinetics, and energetics, we reproduce various experimentally observed WSe₂ patterns formed under different growth and etching conditions, thus identifying the underlying etching mechanisms and kinetics. In particular, we reveal that the experimentally observed curved edge segments are formed under the condition that the dent propagation rate is comparable to the dent nucleation rate, whereas the experimentally observed linear edge segments are formed when the dent propagation rate is faster than the dent nucleation rate. Beyond reproducing experimental observations, we also predict the formation of various patterns by etching the prepatterned multilayered WSe₂. Our study here not only identifies the underlying etching mechanisms and kinetics, but also presents a practical route to manipulate the morphologies of multilayer WSe₂ by controlling etching conditions. The findings revealed here may also be applicable to other members of transition metal dichalcogenides.

近来，通过结合化学气相沉积生长和蚀刻，已经获得了多层WSe ₂图案，其由弯曲和线性边缘段的混合物以及尖点和顶点的混合物组成。然而，形成这种引人入胜的模式的基本机制和动力学仍然难以捉摸。在这里，我们制定了一个动力学的​​蒙特卡洛模型，旨在揭示蚀刻机理和动力学，并了解图案的形成。在该配方中，蚀刻从尖角和顶点位置开始，并通过齿核和边缘传播。所有能量参数均根据实验蚀刻速率确定。使用制定的机制，动力学和能量学，我们重现了各种实验观察到的WSe ₂在不同的生长和蚀刻条件下形成的图形，从而确定了潜在的蚀刻机理和动力学。特别地，我们揭示了在凹痕传播速率与凹痕成核速率相当的条件下形成了实验观察到的弯曲边缘段，而当凹痕传播速率比凹痕成核速率快时，形成了实验观察到的线性边缘段率。除了重现实验结果外，我们还通过蚀刻预先形成图案的多层WSe _2来预测各种图案的形成。我们在这里的研究不仅确定了潜在的蚀刻机理和动力学，而且还提出了一条操作多层WSe ₂形态的实用途径通过控制蚀刻条件。此处揭示的发现也可能适用于过渡金属二卤化其他元素。