Atomistic Simulations of Graphene Growth: From Kinetics to Mechanism

Accounts of Chemical Research
Zongyang QiuJinlong Yang

Abstract

Epitaxial growth is a promising strategy to produce high-quality graphene samples. At the same time, this method has great flexibility for industrial scale-up. To optimize growth protocols, it is essential to understand the underlying growth mechanisms. This is, however, very challenging, as the growth process is complicated and involves many elementary steps. Experimentally, atomic-scale in situ characterization methods are generally not feasible at the high temperature of graphene growth. Therefore, kinetics is the main experimental information to study growth mechanisms. Theoretically, first-principles calculations routinely provide atomic structures and energetics but have a stringent limit on the accessible spatial and time scales. Such gap between experiment and theory can be bridged by atomistic simulations using first-principles atomic details as input and providing the overall growth kinetics, which can be directly compared with experiment, as output. Typically, system-specific approximations should be applied to make such simulations computationally feasible. By feeding kinetic Monte Carlo (kMC) simulations with first-principles parameters, we can directly simulate the graphene growth process and thus understand the g...Continue Reading

References

Sep 25, 2002·Proceedings of the National Academy of Sciences of the United States of America·Alessandro Laio, Michele Parrinello
Apr 9, 2008·Nature Materials·Peter W SutterEli A Sutter
Jun 24, 2008·Nano Letters·Sujit S DattaA T Charlie Johnson
Jun 17, 2009·Nano Letters·Leonardo C CamposPablo Jarillo-Herrero
Jul 21, 2009·Chemical Reviews·Matthew J AllenRichard B Kaner
Jun 22, 2010·Nature Nanotechnology·Sukang BaeSumio Iijima
Oct 29, 2010·Nano Letters·Joseph M WoffordOscar D Dubon
Mar 10, 2011·Journal of the American Chemical Society·Junfeng GaoFeng Ding
Apr 19, 2011·Nano Letters·Andrew Zangwill, Dimitri D Vvedensky
Oct 21, 2011·ACS Nano·Yi ZhangChongwu Zhou
Nov 16, 2011·Journal of the American Chemical Society·Qinghong YuanFeng Ding
Mar 10, 2012·Journal of the American Chemical Society·Ping WuJinlong Yang
Mar 17, 2012·Journal of the American Chemical Society·Junfeng GaoFeng Ding
Jun 23, 2012·Journal of the American Chemical Society·Yunzhou XueYunqi Liu
Sep 6, 2012·Proceedings of the National Academy of Sciences of the United States of America·Vasilii I ArtyukhovBoris I Yakobson
Oct 13, 2012·Nature·K S NovoselovK Kim
Mar 1, 2013·Journal of the American Chemical Society·Lu WangFeng Ding
Mar 14, 2013·Accounts of Chemical Research·Yi ZhangChongwu Zhou
Feb 7, 2014·Journal of the American Chemical Society·Xiuyun ZhangFeng Ding
Apr 4, 2015·Physical Review Letters·Vasilii I ArtyukhovBoris I Yakobson
Aug 13, 2015·Physical Chemistry Chemical Physics : PCCP·Gan LiZhenyu Li
Apr 3, 2014·The Journal of Physical Chemistry Letters·Liang MaFeng Ding
Nov 9, 2016·The Journal of Chemical Physics·Jörg Behler
May 13, 2017·Journal of the American Chemical Society·Ping CuiZhenyu Zhang

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Citations

Aug 23, 2018·Advanced Materials·Yangyong SunJin Zhang

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