The Nanoinnovation 2016 Conference and Exhibition will take place on September, 20 – 23 in the Renaissance Cloister by Sangallo at the Faculty of Civil and Industrial Engineering, Sapienza University of Rome.
In the session TS.II.E Simulation and Modeling for Nanotechnology on September, 21 morning, chaired by Caterina Arcangeli, ENEA, we will have the following oral presentation:
Ab initio study of the stability of H- and O-functionalized graphene as nanomaterial for electrical and optoelectronic applications
Francesco BUONOCORE, ENEA Centro Ricerche Casaccia
Abstract: Graphene is a two-dimensional material that exhibits unique electrical, mechanical and optical properties. More recently, derivatives of graphene have been of large interest because of the possibility to add new functionalities to graphene and tune its electronic properties. Among the possible derivatives, graphane, a graphene structure fully-hydrogenated on both sides of the plane, and graphene oxide (GO) have attracted great attention in the last years. GO is usually derived by graphite oxide via chemical routes which are observed to produce a material with a defective lattice. Using ab initio calculations we show that when graphene oxide is synthesized with alternative physical methods, the formation of regular and short period hydrogenated graphene oxide is possible. This material could be used as an insulating thin coating and/or as an insulating layer in conjunction with metals and semiconductors in electrical and optoelectronic devices.