期刊论文

Liew, K. M.

英文

RSC Advances

2046-2069

2015

5

91

74399-74407

10.1039/c5ra14939h

Research Grants Council of the Hong Kong Special Administrative Region, China [9042047, CityU 11208914]; National Natural Science Foundation of China [51378448]; Hunan Provincial Natural Science Foundation of China [14JJ2076]; Program for Teaching Reform Project of Changsha University of Science and Technology [JG1323]; Construct Program of the Key Discipline in Hunan Province; Aid Program for Science and the Technology Innovative Research Team in Higher Educational Institutions of Hunan Province, China

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The effects of grafted amine groups on in-plane tensile properties and structural stability of armchair and zigzag borophene nanoribbons (ABNRs and ZBNRs) are investigated by using molecular dynamics. The results show that the Young's moduli for the ABNR and ZBNR are 1.093 TPa and 0.978 TPa, respectively. Their ultimate elastic strains are respectively about 15.30% and 22.03%, showing distinct ductile and brittle fractures. When the BNRs are grafted with amine groups (-NH<inf>2</inf>), the moduli of the ABNR and ZBNR increase to 1.125 TPa and 1.016 Tpa, respectively. The ultimate e...