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, ?-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 > >
