Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.3103551
Title: Effects of edge passivation by hydrogen on electronic structure of armchair graphene nanoribbon and band gap engineering
Authors: Lu, Y.H. 
Wu, R.Q. 
Shen, L. 
Yang, M. 
Sha, Z.D.
Cai, Y.Q. 
He, P.M.
Feng, Y.P. 
Issue Date: 2009
Source: Lu, Y.H., Wu, R.Q., Shen, L., Yang, M., Sha, Z.D., Cai, Y.Q., He, P.M., Feng, Y.P. (2009). Effects of edge passivation by hydrogen on electronic structure of armchair graphene nanoribbon and band gap engineering. Applied Physics Letters 94 (12) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.3103551
Abstract: We investigated effects of hydrogen passivation of edges of armchair graphene nanoribbons (AGNRs) on their electronic properties using first-principles method. The calculated band gaps of the AGNRs vary continually over a range of 1.6 eV as a function of a percentage of s p3 -like bonds at the edges. This provides a simple way for band gap engineering of graphene as the relative stability of s p2 and s p3 -like bonds at the edges of the AGNRs depends on the chemical potential of hydrogen gas, and the composition of the s p2 and s p3 -like bonds at the edges of the AGNRs can be easily controlled experimentally via temperature and pressure of H2 gas. © 2009 American Institute of Physics.
Source Title: Applied Physics Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/76032
ISSN: 00036951
DOI: 10.1063/1.3103551
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