Abstract
In the framework of real-time real-space time-dependent density functional theory complemented with Ehrenfest molecular dynamics we have studied the response of small graphene and graphane fragments to intense femtosecond laser pulses. In particular, we have investigated how the response changes with laser pulses of different frequency (near IR, visible, and UV). The results of our simulations show that graphene has a very high immediate (i.e., within laser-pulse duration) damage threshold. They also suggest that, similar to the case of other hydrogenated surfaces, it should be possible to selectively desorb hydrogens from graphane without destroying the underlying carbon structure provided that the laser pulse parameters are properly chosen.
| Original language | English |
|---|---|
| Article number | 205441 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 85 |
| Issue number | 20 |
| DOIs | |
| Publication status | Published - May 24 2012 |
| Externally published | Yes |
Fingerprint
ASJC Scopus subject areas
- Condensed Matter Physics
- Electronic, Optical and Magnetic Materials
Cite this
Electron and ion dynamics in graphene and graphane fragments subjected to high-intensity laser pulses. / Bubin, Sergiy; Varga, Kálmán.
In: Physical Review B - Condensed Matter and Materials Physics, Vol. 85, No. 20, 205441, 24.05.2012.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Electron and ion dynamics in graphene and graphane fragments subjected to high-intensity laser pulses
AU - Bubin, Sergiy
AU - Varga, Kálmán
PY - 2012/5/24
Y1 - 2012/5/24
N2 - In the framework of real-time real-space time-dependent density functional theory complemented with Ehrenfest molecular dynamics we have studied the response of small graphene and graphane fragments to intense femtosecond laser pulses. In particular, we have investigated how the response changes with laser pulses of different frequency (near IR, visible, and UV). The results of our simulations show that graphene has a very high immediate (i.e., within laser-pulse duration) damage threshold. They also suggest that, similar to the case of other hydrogenated surfaces, it should be possible to selectively desorb hydrogens from graphane without destroying the underlying carbon structure provided that the laser pulse parameters are properly chosen.
AB - In the framework of real-time real-space time-dependent density functional theory complemented with Ehrenfest molecular dynamics we have studied the response of small graphene and graphane fragments to intense femtosecond laser pulses. In particular, we have investigated how the response changes with laser pulses of different frequency (near IR, visible, and UV). The results of our simulations show that graphene has a very high immediate (i.e., within laser-pulse duration) damage threshold. They also suggest that, similar to the case of other hydrogenated surfaces, it should be possible to selectively desorb hydrogens from graphane without destroying the underlying carbon structure provided that the laser pulse parameters are properly chosen.
UR - http://www.scopus.com/inward/record.url?scp=84861805249&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84861805249&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.85.205441
DO - 10.1103/PhysRevB.85.205441
M3 - Article
VL - 85
JO - Physical Review B
JF - Physical Review B
SN - 1098-0121
IS - 20
M1 - 205441
ER -