Settem Manoj, Kanjarla Anand K
Department of Metallurgical and Materials Engineering, Indian Institute of Technology Madras, Chennai, 600036, India.
Sci Rep. 2020 Feb 24;10(1):3296. doi: 10.1038/s41598-020-60059-6.
In AgCu nanoalloys a size-dependent transition to the chiral stacking from the anti-Mackay stacking has been predicted previously. This trend is explained by considering the interplay between the core-shell energetics. Results indicate that the energy changes in the Ag shell alone is not sufficient to explain the stability of the chiral stacking and the energy changes in the Cu core also need to be considered. In addition to this, thermally induced transition to chiral stacking was observed at sizes where anti-Mackay stacking is energetically favourable. On transition to the chiral stacking, the Ag-Ag, Ag-Cu and Cu-Cu bond lengths change significantly. These observations are also applicable for AgCu nanoalloys with incomplete Ag shells.
先前已预测，在AgCu纳米合金中，会发生从反麦凯堆积到手性堆积的尺寸依赖性转变。通过考虑核壳能量学之间的相互作用来解释这种趋势。结果表明，仅银壳层中的能量变化不足以解释手性堆积的稳定性，还需要考虑铜核中的能量变化。除此之外，在反麦凯堆积在能量上更有利的尺寸下，观察到了热诱导的向手性堆积的转变。转变为手性堆积时，银-银、银-铜和铜-铜键长会发生显著变化。这些观察结果也适用于银壳不完全的AgCu纳米合金。
