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Title: Nucleation of graphene layers on magnetic oxides: Co 3O 4(111) and Cr 2O 3(0001) from theory and experiment

We report directly grown strongly adherent graphene on Co 3O 4(111) by carbon molecular beam epitaxy (C MBE) at 850 K and density functional theory (DFT) findings that the first graphene layer is reconstructed to fit the Co 3O 4 surface, while subsequent layers retain normal graphene structure. This adherence to the Co 3O 4 structure results from partial bonding of half the carbons to top oxygens of the substrate. This structure is validated by X-ray photoelectron spectroscopy and low-energy electron diffraction studies, showing layer-by-layer graphene growth with ~0.08 electrons/carbon atom transferred to the oxide from the first graphene layer, in agreement with DFT. In contrast, for Cr 2O 3 DFT finds no strong bonding to the surface and C MBE on Cr 2O 3(0001) yields only graphite formation at 700 K, with C desorption above 800 K. As a result, strong graphene-to-oxide charge transfer aids nucleation of graphene on incommensurate oxide substrates and may have implications for spintronics.
Authors:
 [1] ; ORCiD logo [2] ;  [1] ;  [1] ; ORCiD logo [2] ;  [1]
  1. Univ. of North Texas, Denton, TX (United States)
  2. California Inst. of Technology (CalTech), Pasadena, CA (United States)
Publication Date:
Grant/Contract Number:
SC0014607; ECCS-1508991; DMR-1436985
Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Research Org:
California Institute of Technology, Pasadena, CA (United States)
Sponsoring Org:
USDOE; National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1347748

Beatty, John, Cheng, Tao, Cao, Yuan, Driver, M. Sky, Goddard, III, William A., and Kelber, Jeffry A.. Nucleation of graphene layers on magnetic oxides: Co3O4(111) and Cr2O3(0001) from theory and experiment. United States: N. p., Web. doi:10.1021/acs.jpclett.6b02325.
Beatty, John, Cheng, Tao, Cao, Yuan, Driver, M. Sky, Goddard, III, William A., & Kelber, Jeffry A.. Nucleation of graphene layers on magnetic oxides: Co3O4(111) and Cr2O3(0001) from theory and experiment. United States. doi:10.1021/acs.jpclett.6b02325.
Beatty, John, Cheng, Tao, Cao, Yuan, Driver, M. Sky, Goddard, III, William A., and Kelber, Jeffry A.. 2016. "Nucleation of graphene layers on magnetic oxides: Co3O4(111) and Cr2O3(0001) from theory and experiment". United States. doi:10.1021/acs.jpclett.6b02325. https://www.osti.gov/servlets/purl/1347748.
@article{osti_1347748,
title = {Nucleation of graphene layers on magnetic oxides: Co3O4(111) and Cr2O3(0001) from theory and experiment},
author = {Beatty, John and Cheng, Tao and Cao, Yuan and Driver, M. Sky and Goddard, III, William A. and Kelber, Jeffry A.},
abstractNote = {We report directly grown strongly adherent graphene on Co3O4(111) by carbon molecular beam epitaxy (C MBE) at 850 K and density functional theory (DFT) findings that the first graphene layer is reconstructed to fit the Co3O4 surface, while subsequent layers retain normal graphene structure. This adherence to the Co3O4 structure results from partial bonding of half the carbons to top oxygens of the substrate. This structure is validated by X-ray photoelectron spectroscopy and low-energy electron diffraction studies, showing layer-by-layer graphene growth with ~0.08 electrons/carbon atom transferred to the oxide from the first graphene layer, in agreement with DFT. In contrast, for Cr2O3 DFT finds no strong bonding to the surface and C MBE on Cr2O3(0001) yields only graphite formation at 700 K, with C desorption above 800 K. As a result, strong graphene-to-oxide charge transfer aids nucleation of graphene on incommensurate oxide substrates and may have implications for spintronics.},
doi = {10.1021/acs.jpclett.6b02325},
journal = {Journal of Physical Chemistry Letters},
number = 1,
volume = 8,
place = {United States},
year = {2016},
month = {12}
}