Bromination of graphene and graphite
MetadataShow full item record
We present a density-functional theory study of low-density bromination of graphene and graphite, finding significantly different behavior in these two materials. In graphene, we find a new Br2 form where the molecule sits perpendicular to the graphene sheet with an extremely strong molecular dipole. The resultant Br+-Br- has an empty pz orbital located in the graphene electronic π cloud. Bromination opens a small (86-meV) band gap and strongly dopes the graphene. In contrast, in graphite, we find Br2 is most stable parallel to the carbon layers with a slightly weaker associated charge transfer and no molecular dipole. We identify a minimum stable Br2 concentration in graphite, finding low-density bromination to be endothermic. Graphene may be a useful substrate for stabilizing normally unstable transient molecular states.
Showing items related by title, author, creator and subject.
Multifunctional Iron Oxide Nanoflake/Graphene Composites Derived from Mechanochemical Synthesis for Enhanced Lithium Storage and ElectrocatalysisZhao, B.; Zheng, Y.; Ye, F.; Deng, X.; Xu, X.; Liu, M.; Shao, Zongping (2015)Composites consisting of nanoparticles of iron oxides and graphene have attracted considerable attention in numerous applications; however, the synthesis methods used to achieve superior functionalities are often complex ...
Mechanistic Aspects of the Formation of Adsorbable Organic Bromine during Chlorination of Bromide-containing Synthetic Waters.Langsa, M.; Heitz, A.; Joll, Cynthia; von Gunten, U.; Allard, Sebastien (2017)During chlorination of bromide-containing waters, a significant formation of brominated disinfection byproducts is expected. This is of concern because Br-DBPs are generally more toxic than their chlorinated analogues. ...
Liu, Shizhen (2013)Graphene has impressible absorbing ability and its electron transmission capacity makes it a great prosperity in many science horizons. In this study graphene or graphite nitride has been employed as a carrier in order ...