<br>单层六方氮化硼（h-BN）在金属表面的生长机制：理论视角,Nanoscale Advances

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单层六方氮化硼（h-BN）在金属表面的生长机制：理论视角
Nanoscale Advances ( IF 4.6 ) Pub Date : 2023-07-17 , DOI: 10.1039/d3na00382e
Md Sherajul Islam _{1,

2} , Abdullah Al Mamun Mazumder ₃ , Minhaz Uddin Sohag ₁ , Md Mosarof Hossain Sarkar ₁ , Catherine Stampfl ₄ , Jeongwon Park _{2,

5}

Affiliation

二维六方氮化硼 ( h -BN) 因其出色的稳定性、平坦的表面、和宽带隙。然而，为了实现如此令人兴奋的应用，高质量和大规模h -BN的可控质量合成是一个先决条件。利用化学气相沉积（CVD）在金属表面合成h -BN 已被广泛研究，旨在获得大规模、高质量的材料。原子尺度的生长过程是合理优化生长环境的先决条件，也是这些研究的一个关键主题。尽管对h -BN生长机制的理论研究有望揭示许多新的见解和理解，但不同的生长方法具有完全不同的机制，使得理论研究极具挑战性。在本文中，我们总结了最近关于h -BN在不同金属基底上生长机制的前沿理论研究。在常用的铜基板上， h -BN 的开发比简单的吸附-脱氢-生长方案更具挑战性。控制表面层的数量也是一个重要的挑战。 Ni 表面的生长受沉淀控制。在与h -BN 具有显着晶格失配的界面上发现了不寻常的反应限制聚集生长行为。通过采用先进模拟方法进行深入的理论研究，预计在理解h -BN 生长过程方面将取得进一步进展，为引导生长方案设计铺平道路。

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Growth mechanisms of monolayer hexagonal boron nitride (h-BN) on metal surfaces: theoretical perspectives

Two-dimensional hexagonal boron nitride (h-BN) has appeared as a promising material in diverse areas of applications, including as an excellent substrate for graphene devices, deep-ultraviolet emitters, and tunneling barriers, thanks to its outstanding stability, flat surface, and wide-bandgap. However, for achieving such exciting applications, controllable mass synthesis of high-quality and large-scale h-BN is a precondition. The synthesis of h-BN on metal surfaces using chemical vapor deposition (CVD) has been extensively studied, aiming to obtain large-scale and high-quality materials. The atomic-scale growth process, which is a prerequisite for rationally optimizing growth circumstances, is a key topic in these investigations. Although theoretical investigations on h-BN growth mechanisms are expected to reveal numerous new insights and understandings, different growth methods have completely dissimilar mechanisms, making theoretical research extremely challenging. In this article, we have summarized the recent cutting-edge theoretical research on the growth mechanisms of h-BN on different metal substrates. On the frequently utilized Cu substrate, h-BN development was shown to be more challenging than a simple adsorption-dehydrogenation-growth scenario. Controlling the number of surface layers is also an important challenge. Growth on the Ni surface is controlled by precipitation. An unusual reaction-limited aggregation growth behavior has been seen on interfaces having a significant lattice mismatch to h-BN. With intensive theoretical investigations employing advanced simulation approaches, further progress in understanding h-BN growth processes is predicted, paving the way for guided growth protocol design.

更新日期：2023-07-17

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