Density functional based tight binding (DFTB) model is employed to study the sp3-to-sp2 transformation
of diamond-like carbon at elevated temperatures. The understanding could lead to the
direct-growth of graphene on a wide variety of substrates.
References
[1]
Dresselhaus, M.S., et al. (2010) Perspectives on Carbon Nanotubes and Graphene Raman Spectroscopy. Nano Letters, 10, 751-758. http://dx.doi.org/10.1021/nl904286r
[2]
Novoselov, K.S., et al. (2005) Two-Dimensional Atomic Crystals. Proceedings of the National Academy of Sciences of the United States of America, 102, 10451-10453. http://dx.doi.org/10.1073/pnas.0502848102
[3]
Zhang, Y., et al. (2005) Experimental Observation of the Quantum Hall Effect and Berry’s Phase in Graphene. Nature, 438, 201-204. http://dx.doi.org/10.1038/nature04235
[4]
Lee, C., et al. (2008) Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene. Science, 321, 385-388. http://dx.doi.org/10.1126/science.1157996
[5]
Balandin, A.A., et al. (2008) Superior Thermal Conductivity of Single-Layer Graphene. Nano Letters, 8, 902-907.
http://dx.doi.org/10.1021/nl0731872
[6]
Rana, K., et al. (2013) A Graphene-Based Transparent Electrode for Use in Flexible Optoelectronic Devices. Journal of Materials Chemistry C, 2, 2646-2656. http://dx.doi.org/10.1039/c3tc32264e
[7]
Bae, S., et al. (2010) Roll-to-Roll Production of 30-Inch Graphene Films for Transparent Electrodes. Nature Nanotechnology, 5, 574-578. http://dx.doi.org/10.1038/nnano.2010.132
[8]
Li, X., et al. (2009) Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils. Science. 324, 1312-1314. http://dx.doi.org/10.1126/science.1171245
[9]
Kwon, S.Y., et al. (2009) Growth of Semiconducting Graphene on Palladium. Nano Letters, 9, 3985-3990.
http://dx.doi.org/10.1021/nl902140j
[10]
Tinchev, S. (2012) Low Temperature Crystallization of Diamond-Like Carbon Films to Graphene by Low Energy Plasma Surface Treatment. arxiv.org/pdf/1207.0837
[11]
Barreiro, A., et al. (2013) Understanding the Catalyst-Free Transformation of Amorphous Carbon into Graphene by Current-Induced Annealing. Scientific Reports, 3, 1115. http://dx.doi.org/10.1038/srep01115
[12]
Irle, S., et al. (2012) Atomistic Mechanism of Carbon Nanostructure Self-Assembly as Predicted by Nonequilibrium QM/MD Simulations. Springer-European Academy of Sciences.
http://www.springer.com/chemistry/book/978-94-007-0922-5
[13]
Kotakoski, J., et al. (2011) Stone-Wales-Type Transformations in Carbon Nanostructures Driven by Electron Irradiation. Physical Review B, 83, Article ID: 245420. http://dx.doi.org/10.1103/PhysRevB.83.245420
[14]
Lifshitz, Y., et al. (2002) The Mechanism of Diamond Nucleation from Energetic Species. Science, 297, 1531-1533.
http://dx.doi.org/10.1126/science.1074551
[15]
Dassault Systèmes (2016) BIOVIA Materials Studio DFTB+.
http://accelrys.com/products/datasheets/dftb-datasheet.pdf
Terrones, H., et al. (2012) The Role of Defects and Doping in 2D Graphene Sheets and 1D Nanoribbons. Reports on Progress in Physics, 75, Article ID: 062501. http://dx.doi.org/10.1088/0034-4885/75/6/062501
