Phase-field modelling of 2D island growth morphology in chemical vapor deposition
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THE EUROPEAN PHYSICAL JOURNAL E
Regular Article
Phase-field modelling of 2D island growth morphology in chemical vapor deposition Simbarashe Fashu1 , Jing Yang1 , Laishan Yang2,4,a , and Nan Wang1,3,b 1 2 3 4
Guangdong Technion - Israel Institute of Technology, Shantou, China State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin, China Technion - Israel Institute of Technology, Haifa, Israel McGill University, Montreal, Canada Received 30 December 2019 / Received in final form 28 July 2020 / Accepted 13 August 2020 Published online: 11 September 2020 c EDP Sciences / Societ` a Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature, 2020 Abstract. The rich island morphology of two-dimensional (2D) materials during chemical vapor deposition (CVD) growth process is studied using a computational model based on a Burton-Cabrera-Frank (BCF) type crystal growth theory. A previously formulated phase-field (PF) model for the BCF crystal growth process is employed to investigate the effect of various growth conditions, such as the concentration of absorbed atoms on the substrate and the growth temperature, that have been experimentally known to significantly impact the island morphology. It is shown that, within this simple model, the rich morphology of 2D islands in CVD growth can be well reproduced. With increasing substrate temperature, the 2D island changes from dendritic to compact shape. When considering the energy difference between the zigzag and the armchair edges of the 2D island, most commonly known morphologies, from quasi-sixfold compact islands to spiky triangular and compact triangular shapes, are observed in the model. Growth mechanisms associated with different island shapes and potential model improvements are also discussed.
1 Introduction Two-dimensional (2D) materials have been a very active research area since the discovery of graphene in 2004, and many interesting applications in electronics [1,2], photonics [3,4], sensors [5] and energy storage [6,7] based on 2D materials are being proposed every year. The preparation of high-quality 2D materials is of great importance for both laboratory research and industrial applications. Among the various manufacturing approaches, the chemical vapor deposition (CVD) method is widely used to produce 2D materials in laboratories and industries [8]. Many theories have been proposed to understand the growth mechanism and control the growth process [9–15]. However, the precise control of the resulting 2D materials island shape, size and properties in CVD growth is still a challenge since a comprehensive understanding of the interplay between various physical
Contribution to the Topical Issue “Branching Dynamics at the Mesoscopic Scale” edited by Yongsheng Han, Hui Xing, Dongke Sun. a e-mail: [email protected] (corresponding author) b e-mail: [email protected] (corresponding author)
processes and growth control parameters has not been achieved for most 2D materials. Theories have long been use
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