Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
J Chem Phys. 2023 Apr 28;158(16). doi: 10.1063/5.0146305.
Crystals with penta-twinned structures can be produced from diverse fcc metals, but the mechanisms that control the final product shapes are still not well understood. By using the theory of absorbing Markov chains to account for the growth of penta-twinned decahedral seeds via atom deposition and surface diffusion, we predicted the formation of various types of products: decahedra, nanorods, and nanowires. We showed that the type of product depends on the morphology of the seed and that small differences between various seed morphologies can lead to significantly different products. For the case of uncapped decahedra seeds, we compared predictions from our model to nanowire morphologies obtained in two different experiments and obtained favorable agreement. Possible extensions of our model are indicated.
具有五重孪晶结构的晶体可以由多种面心立方金属生成，但控制最终产物形状的机制仍未得到很好的理解。通过使用吸收马尔可夫链理论来描述通过原子沉积和表面扩散生长的五重孪晶十面体种子，我们预测了各种类型的产物：十面体、纳米棒和纳米线。我们表明，产物的类型取决于种子的形态，并且各种种子形态之间的微小差异可能导致明显不同的产物。对于无帽十面体种子的情况，我们将我们的模型预测与在两个不同实验中获得的纳米线形态进行了比较，并得到了很好的一致性。指出了我们模型的可能扩展。
