Diamond as an inert substrate of graphene

Journal Article · Thu Feb 07 00:00:00 EST 2013 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4789420· OSTI ID:22105380

Wei, Hu; Zhenyu, Li; Jinlong, Yang ^[1]

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1. Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026 (China)

Interaction between graphene and semiconducting diamond substrate has been examined with large-scale density functional theory calculations. Clean and hydrogenated diamond (100) and (111) surfaces have been studied. It turns out that weak van der Waals interactions dominate for graphene on all these surfaces. High carrier mobility of graphene is almost not affected, except for a negligible energy gap opening at the Dirac point. No charge transfer between graphene and diamond (100) surfaces is detected, while different charge-transfer complexes are formed between graphene and diamond (111) surfaces, inducing either p-type or n-type doping on graphene. Therefore, diamond can be used as an excellent substrate of graphene, which almost keeps its electronic structures at the same time providing the flexibility of charge doping.

• OSTI ID: 22105380
• Journal Information: Journal of Chemical Physics, Vol. 138, Issue 5; Other Information: (c) 2013 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
74 ATOMIC AND MOLECULAR PHYSICS
77 NANOSCIENCE AND NANOTECHNOLOGY
CARRIER MOBILITY
CHARGE EXCHANGE
DENSITY FUNCTIONAL METHOD
DIAMONDS
ELECTRONIC STRUCTURE
ENERGY GAP
FLEXIBILITY
GRAPHENE
INTERACTIONS
SEMICONDUCTOR MATERIALS
SUBSTRATES
SURFACES
VAN DER WAALS FORCES