Single-crystal metal foils with high-index facets are currently being investigated owing to their potential application in the epitaxial growth of high-quality van der Waals film materials, electrochemical catalysis, gas sensing, and other fields. However, the controllable synthesis of large single-crystal metal foils with high-index facets remains a great challenge because high-index facets with high surface energy are not preferentially formed thermodynamically and kinetically. Herein, single-crystal nickel foils with a series of high-index facets are efficiently prepared by applying prestrain energy engineering technique, with the largest single-crystal foil exceeding 5×8 cm² in size. In terms of thermodynamics, the internal mechanism of prestrain regulation on the formation of high-index facets is proposed. Molecular dynamics simulation is utilized to replicate and explain the phenomenon of multiple crystallographic orientations resulting from prestrain regulation. Additionally, large-sized and high-quality graphite films are successfully fabricated on single-crystal Ni(012) foils. Compared to the polycrystalline nickel, the graphite/single-crystal Ni(012) foil composites show more than five-fold increase in thermal conductivity, thereby showing great potential applications in thermal management. This study hence presents a novel approach for the preparation of single-crystal nickel foils with high-index facets, which is beneficial for the epitaxial growth of certain two-dimensional materials.

中文翻译：

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具有高折射率刻面的大型单晶镍箔的预应变引导屈服


具有高折射率面的单晶金属箔因其在高质量范德华薄膜材料的外延生长、电化学催化、气体传感等领域的潜在应用而受到研究。然而，具有高折射率面的大型单晶金属箔的可控合成仍然是一个巨大的挑战，因为具有高表面能的高折射率面并不是在热力学和动力学上优先形成的。本文采用预应变能量工程技术，高效制备了具有一系列高折射率刻面的单晶镍箔，最大单晶箔尺寸超过5×8 cm ² 。从热力学角度提出了预应变调节对高指数刻面形成的内在机制。利用分子动力学模拟来复制和解释预应变调节产生的多个晶体取向的现象。此外，在单晶Ni(012)箔上成功制备了大尺寸和高质量的石墨薄膜。与多晶镍相比，石墨/单晶Ni(012)箔复合材料的导热率提高了五倍以上，因此在热管理方面显示出巨大的潜在应用前景。因此，这项研究提出了一种制备具有高折射率面的单晶镍箔的新方法，这有利于某些二维材料的外延生长。