TY - JOUR
T1 - Electron and ion dynamics in graphene and graphane fragments subjected to high-intensity laser pulses
AU - Bubin, Sergiy
AU - Varga, Kálmán
N1 - Copyright:
Copyright 2012 Elsevier B.V., All rights reserved.
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.
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U2 - 10.1103/PhysRevB.85.205441
DO - 10.1103/PhysRevB.85.205441
M3 - Article
AN - SCOPUS:84861805249
VL - 85
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
SN - 1098-0121
IS - 20
M1 - 205441
ER -