The authors would like to acknowledge the generous financial support from the Defense Threat Reduction Agency (DTRA) Grant # BRBAA08-C-2-0130 and # HDTRA1-13-1-0025, U.S. Nuclear Regulatory Commission Faculty Development Program Grant # NRC-38-08-950 and U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP) Grant # DE-NE0000325.
Chemically Tuning Mechanics of Graphene by BN†
Article first published online: 3 APR 2013
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Advanced Engineering Materials
Volume 15, Issue 8, pages 718–727, August 2013
How to Cite
Peng, Q., Chen, X.-J., Ji, W. and De, S. (2013), Chemically Tuning Mechanics of Graphene by BN. Adv. Eng. Mater., 15: 718–727. doi: 10.1002/adem.201300033
- Issue published online: 2 AUG 2013
- Article first published online: 3 APR 2013
- Manuscript Accepted: 10 FEB 2013
- Manuscript Received: 30 JAN 2013
- Defense Threat Reduction Agency (DTRA). Grant Numbers: # BRBAA08-C-2-0130, # HDTRA1-13-1-0025
- U.S. Nuclear Regulatory Commission Faculty Development Program. Grant Number: # NRC-38-08-950
- U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP). Grant Number: # DE-NE0000325
With finite bandgaps, g-BNC, a boron nitride monolayer (g-BN) phase within a graphene layer, is a promising semiconductor for next generation electronics. We report its mechanics dependence of the g-BN concentration, including the high order elastic constants and mechanical failure, through a first-principles study based on density functional theory. The in-plane stiffness as well as third order elastic constants of graphene can be linearly tuned with g-BN concentration. The longitudinal mode elastic constants are sensitive to the BN modification, in contrast to the shear mode elastic constants. This study may provide guidance in optimizing the mechanics of graphene-based nanodevices.