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|Title:||Effects of edge passivation by hydrogen on electronic structure of armchair graphene nanoribbon and band gap engineering||Authors:||Lu, Y.H.
|Issue Date:||2009||Citation:||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|
|Appears in Collections:||Staff Publications|
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