Equilibrium shapes of facetted 3D metal nanoclusters intercalated near the surface of layered materials
Abstract
Experimental studies indicate that 3D crystalline metal nanoclusters (NCs) intercalated under the surface of graphite have flat-topped equilibrated shapes. In this work, we characterize the shapes of these facetted NCs sandwiched between a blanketing graphene layer and the underlying graphite substrate. Specifically, we focus on the cases of fcc Cu and hcp Fe NCs. Furthermore, the analysis involves numerical minimization of the system energy for a specified NC volume and NC height, the latter corresponding to the separation between parallel top and bottom facets. Our numerical analysis quantifies how the distance of the side facet planes from center of the nanocluster varies linearly with a natural characteristic linear dimension of the nanocluster. Calculated shapes of fcc Cu and hcp Fe NCs are consistent with the hexagonal footprints observed in scanning tunneling microscopy studies.
- Authors:
-
[1];
[2];
[1]
- Ames Lab., and Iowa State Univ., Ames, IA (United States)
- Ames Lab., and Iowa State Univ., Ames, IA (United States); Univ. of Colorado, Boulder, CO (United States)
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1650578
- Report Number(s):
- IS-J-10,252
Journal ID: ISSN 0953-8984; TRN: US2202628
- Grant/Contract Number:
- AC02-07CH11358
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physics. Condensed Matter
- Additional Journal Information:
- Journal Volume: 32; Journal Issue: 44; Journal ID: ISSN 0953-8984
- Publisher:
- IOP Publishing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Lai, King C., Lii-Rosales, Ann, and Evans, James W. Equilibrium shapes of facetted 3D metal nanoclusters intercalated near the surface of layered materials. United States: N. p., 2020.
Web. doi:10.1088/1361-648x/aba316.
Lai, King C., Lii-Rosales, Ann, & Evans, James W. Equilibrium shapes of facetted 3D metal nanoclusters intercalated near the surface of layered materials. United States. https://doi.org/10.1088/1361-648x/aba316
Lai, King C., Lii-Rosales, Ann, and Evans, James W. Mon .
"Equilibrium shapes of facetted 3D metal nanoclusters intercalated near the surface of layered materials". United States. https://doi.org/10.1088/1361-648x/aba316. https://www.osti.gov/servlets/purl/1650578.
@article{osti_1650578,
title = {Equilibrium shapes of facetted 3D metal nanoclusters intercalated near the surface of layered materials},
author = {Lai, King C. and Lii-Rosales, Ann and Evans, James W.},
abstractNote = {Experimental studies indicate that 3D crystalline metal nanoclusters (NCs) intercalated under the surface of graphite have flat-topped equilibrated shapes. In this work, we characterize the shapes of these facetted NCs sandwiched between a blanketing graphene layer and the underlying graphite substrate. Specifically, we focus on the cases of fcc Cu and hcp Fe NCs. Furthermore, the analysis involves numerical minimization of the system energy for a specified NC volume and NC height, the latter corresponding to the separation between parallel top and bottom facets. Our numerical analysis quantifies how the distance of the side facet planes from center of the nanocluster varies linearly with a natural characteristic linear dimension of the nanocluster. Calculated shapes of fcc Cu and hcp Fe NCs are consistent with the hexagonal footprints observed in scanning tunneling microscopy studies.},
doi = {10.1088/1361-648x/aba316},
journal = {Journal of Physics. Condensed Matter},
number = 44,
volume = 32,
place = {United States},
year = {Mon Aug 10 00:00:00 EDT 2020},
month = {Mon Aug 10 00:00:00 EDT 2020}
}
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