Atomically sharp jagged edges of chemical vapor deposition-grown WS2 for electrocatalysis

Xu, W.; Jung, G. S.; Zhang, W.; Wee, A. T.S.; Warner, J. H.

doi:10.1016/j.mtnano.2022.100183

Title: Atomically sharp jagged edges of chemical vapor deposition-grown WS₂ for electrocatalysis

Journal Article · 12 February 2022 · Materials Today Nano

DOI: https://doi.org/10.1016/j.mtnano.2022.100183 · OSTI ID:1862154

^[1];

^[2]; Zhang, W. ^[3];

^[4]; Warner, J. H. ^[5]

Shenzhen Univ. (China). SZU-NUS Collaborative Innovation Center for Optoelectronic Science & Technology, International Collaborative Lab. of 2D Materials for Optoelectronics Science and Technology; National Univ. of Singapore (Singapore)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Shenzhen Univ. (China). SZU-NUS Collaborative Innovation Center for Optoelectronic Science & Technology, International Collaborative Lab. of 2D Materials for Optoelectronics Science and Technology
National Univ. of Singapore (Singapore); National Univ. of Singapore (Singapore). Centre for Advanced 2D Materials
Univ. of Texas, Austin, TX (United States); Univ. of Texas, Austin, TX (United States). Texas Materials Inst.

Chemical vapor deposition (CVD)-grown 2D transition metal dichalcogenides can adopt faceted edges. To investigate how sharp these sites can be, we utilize aberration-corrected annular dark-field scanning transmission electron microscopy (ADF-STEM) to resolve the atomic structure of two-dimensional (2D) WS₂ domains that show jagged edges. Nanoscale triangular edge structures with S zigzag terminations are observed. Both the peak and valley regions exhibit near-atomic sharpness. The peaks are as sharp as two atoms in width. Highly ordered valley sites display a minimum width of three atoms, and prospective single-atom valleys appear as two-atom-wide sites in the ADF-STEM contrast. Regarding the kinetics, density-functional theory (DFT) calculations indicate that the 2-W-atom peak would not evolve into a single-W-atom peak even though the latter configuration is also stable with a high enough binding energy under the growth conditions. These results help deepen our understanding of the possible structuring at the nanoscale and the atomic-scale limits of peaks and valleys formed via intersection of two zigzag edges. The enriched edge sites lead to higher catalytic activities for the hydrogen evolution reaction (HER).

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1862154

Journal Information:: Materials Today Nano, Journal Name: Materials Today Nano Journal Issue: NA Vol. 18; ISSN 2588-8420

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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