Tailoring the failure morphology of 2D bicrystalline graphene oxide

作者: Akarsh Verma , Avinash Parashar , M. Packirisamy

DOI: 10.1063/1.5033542

关键词: GrapheneDuctilityOxideNanosheetComposite materialBrittlenessMolecular dynamicsEpoxideMaterials scienceGrain boundary

摘要: … functionalisation on the failure morphology of bicrystalline graphene. Molecular dynamics … as well as failure morphology of different configurations of bicrystalline graphene oxide. …

参考文章(63)
Xiao-Yong Fang, Xiao-Xia Yu, Hong-Mei Zheng, Hai-Bo Jin, Li Wang, Mao-Sheng Cao, Temperature- and thickness-dependent electrical conductivity of few-layer graphene and graphene nanosheets Physics Letters A. ,vol. 379, pp. 2245- 2251 ,(2015) , 10.1016/J.PHYSLETA.2015.06.063
Lizhao Liu, Junfeng Zhang, Haili Gao, Lu Wang, Xue Jiang, Jijun Zhao, Tailoring physical properties of graphene: Effects of hydrogenation, oxidation, and grain boundaries by atomistic simulations Computational Materials Science. ,vol. 112, pp. 527- 546 ,(2016) , 10.1016/J.COMMATSCI.2015.06.032
Xiaoding Wei, Lily Mao, Rafael A. Soler-Crespo, Jeffrey T. Paci, Jiaxing Huang, SonBinh T. Nguyen, Horacio D. Espinosa, Plasticity and ductility in graphene oxide through a mechanochemically induced damage tolerance mechanism Nature Communications. ,vol. 6, pp. 8029- 8029 ,(2015) , 10.1038/NCOMMS9029
Changhong Cao, Matthew Daly, Brandon Chen, Jane Y. Howe, Chandra Veer Singh, Tobin Filleter, Yu Sun, Strengthening in Graphene Oxide Nanosheets: Bridging the Gap between Interplanar and Intraplanar Fracture. Nano Letters. ,vol. 15, pp. 6528- 6534 ,(2015) , 10.1021/ACS.NANOLETT.5B02173
Qi Chen, Xiaoning Yang, Pyridinic nitrogen doped nanoporous graphene as desalination membrane: Molecular simulation study Journal of Membrane Science. ,vol. 496, pp. 108- 117 ,(2015) , 10.1016/J.MEMSCI.2015.08.052
Benjamin D. Jensen, Kristopher E. Wise, Gregory M. Odegard, The effect of time step, thermostat, and strain rate on ReaxFF simulations of mechanical failure in diamond, graphene, and carbon nanotube. Journal of Computational Chemistry. ,vol. 36, pp. 1587- 1596 ,(2015) , 10.1002/JCC.23970
Ji Won Suk, Richard D. Piner, Jinho An, Rodney S. Ruoff, Mechanical Properties of Monolayer Graphene Oxide ACS Nano. ,vol. 4, pp. 6557- 6564 ,(2010) , 10.1021/NN101781V
Sebastien Kerisit, Birgit Schwenzer, M. Vijayakumar, Effects of Oxygen-Containing Functional Groups on Supercapacitor Performance. Journal of Physical Chemistry Letters. ,vol. 5, pp. 2330- 2334 ,(2014) , 10.1021/JZ500900T
Kimberly Chenoweth, Adri C. T. van Duin, William A. Goddard, ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation Journal of Physical Chemistry A. ,vol. 112, pp. 1040- 1053 ,(2008) , 10.1021/JP709896W
Cristina Gómez-Navarro, Marko Burghard, Klaus Kern, Elastic properties of chemically derived single graphene sheets. Nano Letters. ,vol. 8, pp. 2045- 2049 ,(2008) , 10.1021/NL801384Y