期刊
PHYSICAL REVIEW B
卷 85, 期 3, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.85.033402
关键词
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资金
- National Natural Science Foundation of China (NSFC) [11074176]
- National Natural Science Foundation of China (NSAF) [10976019]
- Research Fund for the Doctoral Program of Higher Education of China [20100181110080]
- MEXT
- Computational Materials Science Initiative (CMSI) of Japan
- Ministry of Knowledge Economic (MKE) of the Korean Government
By performing the first-principles simulation of electron-ion dynamics based on the time-dependent densityfunctional theory, we propose a way to produce graphene from graphene oxides by means of the laser-induced reduction without using chemical species. Epoxy and hydroxyl groups on graphene sheets can be completely removed upon irradiation with femtosecond laser without damaging the graphene sheet. By comparing the simulated results with different pulse shapes and intensities, optimum conditions of the femtosecond laser for reduction of graphene oxide were determined. The current works will be useful for further experimental researches.
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