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Nucleation of Graphene Layers On Magnetic Oxides: Co_3O_4(111) and Cr_2O_3(0001) from Theory and Experiment

Beatty, John and Cheng, Tao and Cao, Yuan and Driver, M. Sky and Goddard, William A., III and Kelber, Jeffry A. (2016) Nucleation of Graphene Layers On Magnetic Oxides: Co_3O_4(111) and Cr_2O_3(0001) from Theory and Experiment. Journal of Physical Chemistry Letters, 2017 (8). pp. 188-192. ISSN 1948-7185.

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We report direct grown strongly adherent graphene on Co_3O_4(111) by Carbon molecular beam epitaxy (MBE) at 850 K and 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 oxygen 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, C MBE on Cr_2O_3(0001) yields only graphite formation at 700 K, with C desorption above 800 K. For Cr_2O_3 DFT finds no strong bonding to the surface, with charge transfer is away from the oxide. Thus strong graphene-to-oxide charge transfer aids nucleation of graphene on incommensurate oxide substrates.

Item Type:Article
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URLURL TypeDescription Information
Cheng, Tao0000-0003-4830-177X
Goddard, William A., III0000-0003-0097-5716
Kelber, Jeffry A.0000-0002-3259-9068
Alternate Title:Nucleation of Graphene Layers On Magnetic Oxides: Co3O4(111) and Cr2O3(0001) from Theory and Experiment
Additional Information:© 2016 American Chemical Society. Publication Date (Web): December 14, 2016. Work at UNT was supported by the NSF under grant no. ECCS-1508991, and in part by CSPIN, a funded center of STARnet, a Semiconductor Research Corporation (SRC) program sponsored by MARCO and DARPA under task IDs 2381.001 and 2381.006. The research at Caltech was supported by the NSF (DMR-1436985) and DOE (DE-SC0014607). The authors declare no competing financial interests.
Funding AgencyGrant Number
Microelectronics Advanced Research Corporation (MARCO)UNSPECIFIED
Department of Energy (DOE)DE-SC0014607
Defense Advanced Research Projects Agency (DARPA)2381.001
Defense Advanced Research Projects Agency (DARPA)2381.006
Issue or Number:8
Record Number:CaltechAUTHORS:20161215-105655858
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Official Citation:Nucleation of Graphene Layers on Magnetic Oxides: Co3O4(111) and Cr2O3(0001) from Theory and Experiment John Beatty, Tao Cheng, Yuan Cao, M. Sky Driver, William A. Goddard, III, and Jeffry A. Kelber The Journal of Physical Chemistry Letters 2017 8 DOI: 10.1021/acs.jpclett.6b02325
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:72846
Deposited By: Tony Diaz
Deposited On:15 Dec 2016 19:39
Last Modified:09 Mar 2020 13:18

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