Chemically Tunable Transport Phenomena of Functionalized Graphene

We present an ab initio multiscale study and quantum transport simulations using the Kubo formalism [1] of chemically modified graphene based materials, whose properties are tuned by changing the density and nature of grafted molecular units. Depending on the nature of the introduced molecular bonding different conduction mechanism are obtained, including transition from weak to strong Anderson localization [2,3], as well as spin-dependent phenomena [4] and magnetoresistive fingerprints [5]. \\[4pt] References: [1] H. Ishii, F. Triozon, N. Kobayashi, K. Hirose, and S. Roche, C. R. Physique 10, 283 (2009) [2] N. Leconte, J. Moser, P. Ordejon, H. Tao, A. Lherbier, A. Bachtold, F. Alsina, C.M. Sotomayor Torres, J.-C. Charlier, and S. Roche, ACS Nano 4, 7, 4033-4038 (2010) [3] N. Leconte, A. Lherbier, F. Varchon, P. Ordejon, S. Roche, and J.-C. Charlier (accepted in PRB) [4] N. Leconte, D. Soriano, S. Roche, P. Ordejon, J.-C. Charlier, and J.J. Palacios, ACS Nano 5, 5, 3987-3992 (2011) [5] D. Soriano, N. Leconte, P. Ordejon, J.-C. Charlier, J.J. Palacios, and S. Roche, Phys. Rev. Lett. 107, 016602 (2011)