期刊论文

Liew, K. M.

英文

Materials Chemistry and Physics

0254-0584

2014

145

3

313-319

10.1016/j.matchemphys.2014.02.014

The work described in this paper was fully supported by grants from the Research Grants Council of the Hong Kong Special Administrative Region, China (Project No. 9041674, CityU 118411) and the China National Natural Science Foundation (Grant No. 11172253 ). The work was also supported by Hunan Provincial Natural Science Foundation of China (Project No. 14JJ2076), Scientific Research Fund of Hunan Provincial Education Department, China (Project No. 12A001), Hunan Province Science and Technology Program (Project No. 2012GK3054), the Construct Program of the Key Discipline in Hunan Province and Aid Program for Science and the Technology Innovative Research Team in Higher Educational Institutions of Hunan Province, China .

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Molecular dynamics is employed to study the effect of grafted carboxyl groups on elasticity, high-temperature structural stability and compressive properties of armchair and zigzag graphene nanoribbons (AGNRs and ZGNRs). It is found that the Young's moduli decrease as the graft quantity increases from no graft to full grafts (-COOH). The fall for AGNR is larger than that for ZGNRs, which further increases the anisotropy of the elastic property. The structures after undergoing high temperature at 1500 K show that the AGNR exhibits less distortio...