In situ edge engineering in two-dimensional transition metal dichalcogenides

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Title
In situ edge engineering in two-dimensional transition metal dichalcogenides
Author(s)
Xiahan Sang; Xufan Li; Wen Zhao; Jichen Dong; Christopher M. Rouleau; David B. Geohegan; Feng Ding; Kai Xiao; Raymond R. Unocic
Publication Date
2018-05
Journal
NATURE COMMUNICATIONS, v.9, no.1, pp.2051 -
Publisher
NATURE PUBLISHING GROUP
Abstract
Exerting synthetic control over the edge structure and chemistry of two-dimensional (2D) materials is of critical importance to direct the magnetic, optical, electrical, and catalytic properties for specific applications. Here, we directly image the edge evolution of pores in Mo1-xWxSe2 monolayers via atomic-resolution in situ scanning transmission electron microscopy (STEM) and demonstrate that these edges can be structurally transformed to theoretically predicted metastable atomic configurations by thermal and chemical driving forces. Density functional theory calculations and ab initio molecular dynamics simulations explain the observed thermally induced structural evolution and exceptional stability of the four most commonly observed edges based on changing chemical potential during thermal annealing. The coupling of modeling and in situ STEM imaging in changing chemical environments demonstrated here provides a pathway for the predictive and controlled atomic scale manipulation of matter for the directed synthesis of edge configurations in Mo-1_xWxSe2 to achieve desired functionality © The Author(s) 2018
URI
https://pr.ibs.re.kr/handle/8788114/4509
ISSN
2041-1723
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > Journal Papers (저널논문)
Files in This Item:
2. s41467-018-04435-x.pdfDownload

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