Analysis of energy gap opening in graphene oxide

Article English OPEN
Lundie, M ; Šljivančanin, Ž ; Tomic, S

The utilisation of graphene structures as photonics materials mandates that an optically active electronic energy gap be formed. Opening of a gap in graphene has been demonstrated by functionalisation with H, F, or O atoms, while experimental observations of graphene oxide have hinted at interesting optical properties, with the potential for absorption of visible light. As such, our analysis is focused on O functionalisation of graphene. We present results from extensive ab initio and hybrid DFT calculations, demonstrating the creation of an optically active gap.
  • References (21)
    21 references, page 1 of 3

    [1] Novoselov K, Geim A, Morozov S, Jiang D, Zhang Y, Dubonos S, Grigorieva I and Firsov A 2004 Science 306 666{669

    [2] Bonaccorso F, Sun Z, Hasan T and Ferrari A C 2010 Nat. Photonics 4 611{622

    [3] Balog R, J rgensen B, Wells J, L gsgaard E, Hofmann P, Besenbacher F and Hornekr L 2009 J. Am. Chem. Soc. 131 8744{8745

    [4] Balog R, J rgensen B, Nilsson L, Andersen M, Rienks E, Bianchi M, Fanetti M, Laegsgaard E, Baraldi A, Lizzit S, Sljivancanin Z, Besenbacher F, Hammer B, Pedersen T G, Hofmann P and Hornekaer L 2010 Nat. Mater. 9 315{319

    [5] Balog R, Andersen M, J rgensen B, Sljivancanin Z, Hammer B, Baraldi A, Larciprete R, Hofmann P, Hornekr L and Lizzit S 2013 ACS Nano 7 3823{3832

    [6] Nair R R, Ren W, Jalil R, Riaz I, Kravets V G, Britnell L, Blake P, Schedin F, Mayorov A S, Yuan S, Katsnelson M I, Cheng H M, Strupinski W, Bulusheva L G, Okotrub A V, Grigorieva I V, Grigorenko A N, Novoselov K S and Geim A K 2010 Small 6 2877{2884

    [7] Vinogradov N A, Schulte K, Ng M L, Mikkelsen A, Lundgren E, Martensson N and Preobrajenski A B 2011 J. Phys. Chem. C 115 9568{9577

    [8] Larciprete R, Fabris S, Sun T, Lacovig P, Baraldi A and Lizzit S 2011 J. Am. Chem. Soc. 133 17315{17321

    [9] Niyogi S, Bekyarova E, Itkis M, McWilliams J, Hamon M and Haddon R 2006 J. Am. Chem. Soc. 128 7720{7721

    [10] Eda G, Lin Y Y, Mattevi C, Yamaguchi H, Chen H A, Chen I S, Chen C W and Chhowalla M 2010 Adv. Mater. 22 505

  • Metrics
    0
    views in OpenAIRE
    0
    views in local repository
    26
    downloads in local repository

    The information is available from the following content providers:

    From Number Of Views Number Of Downloads
    University of Salford Institutional Repository - IRUS-UK 0 26
Share - Bookmark