| Title |
|
|
|
Enhancement of the stability of fluorine atoms on defective graphene and at graphene/fluorographene interface
| |
| Author |
|
|
|
| |
| Abstract |
|
|
|
| Fluorinated graphene is one of the most important derivatives of graphene and has been found to have great potential in optoelectronic and photonic nanodevices. However, the stability of F atoms on fluorinated graphene under different conditions, which is essential to maintain the desired properties of fluorinated graphene, is still unclear. In this work, we investigate the diffusion of F atoms on pristine graphene, graphene with defects, and at graphene/fluorographene interfaces by using density functional theory calculations. We find that an isolated F atom diffuses easily on graphene, but those F atoms can be localized by inducing vacancies or absorbates in graphene and by creating graphene/fluorographene interfaces, which would strengthen the binding energy of F atoms on graphene and increase the diffusion energy barrier of F atoms remarkably. | | |
| Language |
|
|
|
English
| |
| Source (journal) |
|
|
|
ACS applied materials and interfaces | |
| Publication |
|
|
|
2015
| |
| ISSN |
|
|
|
1944-8244
| |
| Volume/pages |
|
|
|
7:35(2015), p. 19659-19665
| |
| ISI |
|
|
|
000361252400018
| |
| Full text (Publisher's DOI) |
|
|
| | |
| Full text (open access) |
|
|
| | |
|