Origin of ultrafast growth of monolayer WSe2 via chemical vapor deposition

The ultrafast growth of large-area, high-quality WSe 2 domains with a compact triangular morphology has recently been achieved on a gold substrate via chemical vapor deposition. However, the underlying mechanism responsible for ultrafast growth remains elusive. Here, we first analyze growth processe...

Full description

Saved in:
Bibliographic Details
Published in:npj computational materials 2019-02, Vol.5 (1), Article 28
Main Authors: Chen, Shuai, Gao, Junfeng, Srinivasan, Bharathi M., Zhang, Gang, Sorkin, Viacheslav, Hariharaputran, Ramanarayan, Zhang, Yong-Wei
Format: Article
Language:English
Subjects:
639/301/1034/1035
639/301/357/1018
Characterization and Evaluation of Materials
Chemical vapor deposition
Chemistry and Materials Science
Computational Intelligence
Computer simulation
Diffusion barriers
Diffusion rate
Domains
First principles
Gold
Growth rate
Materials Science
Mathematical analysis
Mathematical and Computational Engineering
Mathematical and Computational Physics
Mathematical Modeling and Industrial Mathematics
Morphology
Nucleation
Organic chemistry
Substrates
Theoretical
Two dimensional materials
Vapors
Viability
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The ultrafast growth of large-area, high-quality WSe 2 domains with a compact triangular morphology has recently been achieved on a gold substrate via chemical vapor deposition. However, the underlying mechanism responsible for ultrafast growth remains elusive. Here, we first analyze growth processes and identify two possible pathways that might achieve ultrafast growth: Path 1, fast edge attachment and ultrafast edge diffusion; Path 2, fast kink nucleation and ultrafast kink propagation. We perform kinetic Monte Carlo simulations and first-principles calculations to assess the viability of these two paths, finding that Path 1 is not viable due to the high edge diffusion barrier calculated from first-principles calculations. Remarkably, Path 2 reproduces all the experimental growth features (domain morphology, domain orientation, and growth rate), and the associated energetic data are consistent with first-principles calculations. The present work unveils the underlying mechanism for the ultrafast growth of WSe 2 , and may provide a new route for the ultrafast growth of other two-dimensional materials.
ISSN:2057-3960
2057-3960
DOI:10.1038/s41524-019-0167-2