[Pw_forum] Graphene Nanoribbon

[Ari P Seitsonen]

Dear Swapnil Chandratre,

   We recently published some studies on graphene nanoribbons 
terminated with hydrogen, oxygen, and (dissociated) water and ammonia; 
there are manymanymany other studies as well, but here the citations to 
our works (Wassmann et alia):

  * Structure, stability, edge states and aromaticity of graphene ribbons 
Tobias Wassmann, Ari P Seitsonen, A Marco Saitta, Michele Lazzeri and 
Francesco Mauri, Physical Review Letters 101 096402 (2008); 
http://dx.doi.org/10.1103/PhysRevLett.101.096402

  * Clar's Theory, π-Electron Distribution, and Geometry of Graphene 
Nanoribbons Tobias Wassmann, Ari Paavo Seitsonen, A Marco Saitta, Michele 
Lazzeri and Francesco Mauri, Journal of the American Chemical Society 132 
3440-3451 (2010); http://dx.doi.org/10.1021/ja909234y

  * Structure and stability of graphene nanoribbons in oxygen, carbon 
dioxide, water and ammonia Ari P Seitsonen, A Marco Saitta, Tobias 
Wassmann, Michele Lazzeri and Francesco Mauri, Physical Review B 82 (2010) 
115425; http://dx.doi.org/10.1103/PhysRevB.82.115425

     Greetings from Lund/Sweden,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Physikalisch-Chemisches Institut der Universitaet Zuerich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935

On Sun, 15 May 2011, swapnil chandratre wrote:

> Hi,
> Has anyone worked with Espresso to explore semi conducting properties on a Graphene Nanoribbon ( armchair configuration with specific
> geometry). Can anyone point to some articles to the same. 
> 
> --
> Regards,
> Swapnil Chandratre
> Graduate Student
> Dept. of Mechanical Engineering,
> University of Houston,
> Houston, TX
> (M)-713-294-9546
> 
>