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Title: Diamond as an inert substrate of graphene

Abstract

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.

Authors:
; ;  [1]
  1. Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026 (China)
Publication Date:
OSTI Identifier:
22105380
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 138; Journal Issue: 5; Other Information: (c) 2013 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
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

Citation Formats

Wei, Hu, Zhenyu, Li, and Jinlong, Yang. Diamond as an inert substrate of graphene. United States: N. p., 2013. Web. doi:10.1063/1.4789420.
Wei, Hu, Zhenyu, Li, & Jinlong, Yang. Diamond as an inert substrate of graphene. United States. doi:10.1063/1.4789420.
Wei, Hu, Zhenyu, Li, and Jinlong, Yang. Thu . "Diamond as an inert substrate of graphene". United States. doi:10.1063/1.4789420.
@article{osti_22105380,
title = {Diamond as an inert substrate of graphene},
author = {Wei, Hu and Zhenyu, Li and Jinlong, Yang},
abstractNote = {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.},
doi = {10.1063/1.4789420},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 5,
volume = 138,
place = {United States},
year = {2013},
month = {2}
}