Graphitization of amorphous carbon and its transformation pathways
作者： G. C. Loh , D. Baillargeat
DOI: 10.1063/1.4816313
关键词:
摘要: The graphitic ordering of the amorphous state carbon has been a long-standing challenge. Whilst there are numerous transformation methodologies, including high-temperature-pressure approach, still many unclear elements concerning mechanism. By employing classical molecular dynamics simulations, process graphitization is modelled and analyzed. A systematic study various schemes loading conditions suggests that (1) axial strain vital ingredient in transformation, (2) exists close relationship between mean layer atomic density structure process. Furthermore, non-simultaneity (i.e., delayed manner) (by high-temperature annealing straining) promotes greater extent graphitization, as compared to concurrent means. More interestingly, edge non-edge bonds behave dissimilarly response change density, prevails at different stages fast slow schemes. Virial pressure calculations validate structural stability.
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sci-hub.se 参考文章(46)
L. Soukup, I. Gregora, L. Jastrabik, A. Koňáková, Raman spectra and electrical conductivity of glassy carbon Materials Science and Engineering: B. ,vol. 11, pp. 355- 357 ,(1992) , 10.1016/0921-5107(92)90240-A
Florin Fugaciu, Helmut Hermann, Gotthard Seifert, Concentric-shell fullerenes and diamond particles: A molecular-dynamics study Physical Review B. ,vol. 60, pp. 10711- 10714 ,(1999) , 10.1103/PHYSREVB.60.10711
Tian-Bao Ma, Yuan-Zhong Hu, Hui Wang, Molecular dynamics simulation of shear-induced graphitization of amorphous carbon films Carbon. ,vol. 47, pp. 1953- 1957 ,(2009) , 10.1016/J.CARBON.2009.03.040
B. S. Satyanarayana, A. Hart, W. I. Milne, J. Robertson, Field emission from tetrahedral amorphous carbon Applied Physics Letters. ,vol. 71, pp. 1430- 1432 ,(1997) , 10.1063/1.119915
G. Tondi, V. Fierro, A. Pizzi, A. Celzard, Tannin-based carbon foams Carbon. ,vol. 47, pp. 1480- 1492 ,(2009) , 10.1016/J.CARBON.2009.01.041
Ngamta Thamwattana, James M. Hill, Nanotube bundle oscillators: Carbon and boron nitride nanostructures Physica B-condensed Matter. ,vol. 404, pp. 3906- 3910 ,(2009) , 10.1016/J.PHYSB.2009.07.140
M. Shamsa, W. L. Liu, A. A. Balandin, C. Casiraghi, W. I. Milne, A. C. Ferrari, Thermal conductivity of diamond-like carbon films Applied Physics Letters. ,vol. 89, pp. 161921- ,(2006) , 10.1063/1.2362601
George Chen, Ping Hui, Shi Xu, Thermal conduction in metalized tetrahedral amorphous carbon (ta C) films on silicon Thin Solid Films. ,vol. 366, pp. 95- 99 ,(2000) , 10.1016/S0040-6090(99)01097-4
D. V. Khveshchenko, Coulomb-interacting Dirac fermions in disordered graphene Physical Review B. ,vol. 74, pp. 161402- ,(2006) , 10.1103/PHYSREVB.74.161402
K. L. Saenger, J. C. Tsang, A. A. Bol, J. O. Chu, A. Grill, C. Lavoie, In situ X-ray Diffraction Study of Graphitic Carbon Formed During Heating and Cooling of Amorphous-C/Ni bilayers Applied Physics Letters. ,vol. 96, pp. 153105- ,(2010) , 10.1063/1.3397985