Detail:

Abstract:
　　High quality low-dimensional carbon materials, such as carbon nanotube and graphene, is highly desired for both fundamental research and their industrial applications. While their controllable synthesis has been a great challenge due to the extremely large number of combinations of experimental parameters and the lack of understanding of the growth mechanism. Using the first-principles theoretical calculations, we systematically explored the growth mechanism of carbon nanotube and graphene and have successfully revealed (i) the kinetics of carbon nanotube growth, including the type dependent growth rate, defect healing and growth termination [1]; (ii) the fundamental understanding of graphene nucleation, growth kinetics on the catalyst surface and the epitaxy growth [2]. Based on our theoretical results, the routes towards the controllable synthesis of the desired carbon materials are proposed and achieved via experimental collaborations. [3]

References:
[1] Phys. Rev. Lett., 107(15), 156101, 2011; Phys. Rev. Lett., 108 (24), 245505, 2012; Angew. Chem. Int. Edit, 54, 6068, 2015.
[2] J. Phys. Chem. C, 115, 17695, 2011; J. Am. Chem. Soc., 133 (40), 16072-16079, 2011; J. Am. Chem. Soc., 134 (6), 2970-2975, 2012; Nanoscale, 6, 12727-12731, 2014; J. Phys. Chem. Lett. 5, 3093−3099, 2014; Scientific Reports, 4, 6541, 2014.
[3] Adv. Mat. 27, 1376, 2015; Nat. Comm. 6, 6160, 2015; Adv. Funct. Mater., 25, 3666-3675, 2015; Nat. Mat. 15, 43, 2016; Nano Letters, 16, 3160, 2016.