| Home | << 1 >> |
|
| Record | |||||
|---|---|---|---|---|---|
| Author | Sadeghi, A.; Neek-Amal, M.; Berdiyorov, G.R.; Peeters, F.M. | ||||
| Title | Diffusion of fluorine on and between graphene layers | Type | A1 Journal article | ||
| Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 91 | Issue | 91 | Pages | 014304 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using first-principles calculations and reactive force field molecular dynamics simulations, we study the structural properties and dynamics of a fluorine (F) atom, either adsorbed on the surface of single layer graphene (F/GE) or between the layers of AB stacked bilayer graphene (F@ bilayer graphene). It is found that the diffusion of the F atom is very different in those cases, and that the mobility of the F atom increases by about an order of magnitude when inserted between two graphene layers. The obtained diffusion constant for F/GE is twice larger than that experimentally found for gold adatom and theoretically found for C-60 molecule on graphene. Our study provides important physical insights into the dynamics of fluorine atoms between and on graphene layers and explains the mechanism behind the separation of graphite layers due to intercalation of F atoms. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lancaster, Pa | Editor | ||
| Language | Wos | 000349125800002 | Publication Date | 2015-01-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume  |
Series Issue | Edition | |||
| ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 15 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish Government. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:132561 | Serial | 4161 | ||
| Permanent link to this record | |||||