Babenko Vitaliy, Joo Se Hun, Krief Anastasia P, Tillotson Evan, Haigh Sarah J, Pickard Chris J, Hofmann Stephan
Department of Engineering, University of Cambridge Cambridge CB3 0FA UK
Department of Materials Science & Metallurgy, University of Cambridge Cambridge CB3 0FS UK.
Nanoscale Adv. 2025 Jul 2. doi: 10.1039/d5na00457h.
High-throughput characterisation and fast sample quality feedback loops are essential for accelerating the development of advanced materials and their technological applications. This is particularly pertinent to the chemical vapor deposition (CVD) driven industrialisation of ultra-thin device materials, like hBN, where a complex texture at the atomic layer level remains hard to characterise efficiently, particularly over large areas. Here, we show that secondary electron contrast can be used to fingerprint the alignment of monolayer hBN domains with the Ni(111) surface, thus opening fast crystallographic texture mapping capabilities with conventional scanning electron microscopy (SEM). Density functional theory (DFT) computations indicate a work function difference of 50 meV between the two possible epitaxial hBN orientations and around 600 meV between epitaxial and non-epitaxial (rotated) hBN orientations, where we also account for vicinal Ni surfaces. Through self-consistent secondary electron contrast assignment, we demonstrate the effective and systematic analysis of the large-area structure of hBN CVD films and how this can provide insight into their growth process and evolution, including the nature of the resulting domain boundaries, adlayers and overlapping bilayer regions.
高通量表征和快速的样品质量反馈回路对于加速先进材料及其技术应用的开发至关重要。这对于诸如hBN等超薄器件材料通过化学气相沉积(CVD)实现工业化尤为相关,在这种情况下,原子层水平的复杂织构仍然难以有效表征,尤其是在大面积区域。在此,我们表明二次电子对比度可用于指纹识别单层hBN畴与Ni(111)表面的取向,从而利用传统扫描电子显微镜(SEM)开启快速晶体织构映射能力。密度泛函理论(DFT)计算表明,两种可能的外延hBN取向之间的功函数差为50 meV,外延和非外延(旋转)hBN取向之间约为600 meV,我们还考虑了邻位Ni表面。通过自洽的二次电子对比度赋值,我们展示了对hBN CVD薄膜大面积结构的有效和系统分析,以及这如何能够深入了解其生长过程和演变,包括所得畴界、吸附层和重叠双层区域的性质。