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Ding, Feng
IBS - Center for Multidimensional Carbon Materials (CMCM)
Research Interests
  • Theoretical methods development for materials studies.

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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
Sang, XiahanLi, XufanZhao, WenDong, JichenRouleau, Christopher M.Geohegan, David B.Ding, FengXiao, KaiUnocic, Raymond R.
Issue Date
201805
Publisher
NATURE PUBLISHING GROUP
Citation
NATURE COMMUNICATIONS, v.9, no., pp.2051 -
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.
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DOI
http://dx.doi.org/10.1038/s41467-018-04435-x
ISSN
2041-1723
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MSE_Journal Papers
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