Structural and electronic properties of copper nanowires inside zigzag carbon nanotubes

Duan, Ying-Ni; Zhang, Jianmin; Wei, Xiumei; Fan, Xiao-Xi; Xu, Ke; Ji, Vincent

doi:10.1016/j.physb.2014.05.001

Cited by 2 publications

(3 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…On the other hand, the CNT is also one of the most promising nanomaterials for assembling nanocomposite structures, such as fluid-filled CNTs [23,24], metal nanowire-filled SWCNTs [25,26], carbon-atom chain-filled SWCNTs (CCSCs) [27,28,29], and C 60 chain-filled SWCNTs [30]. It is well-known that the van der Waals (vdW) interactions between the filled mass chain and the CNT play an important role in the dynamics behavior of the CNT composite structures.…”

Section: Introductionmentioning

confidence: 99%

Flexural Wave Propagation in Mass Chain-Filled Carbon Nanotubes

2019

View full text Add to dashboard Cite

The propagation characteristics of terahertz (THz) flexural waves in mass chain-filled single-walled carbon nanotubes (MCSCs) are studied using a continuum mechanics approach and molecular dynamics (MD) simulations, where each single-walled carbon nanotube (SWCNT) is modeled as a nonlocal Timoshenko beam based on the nonlocal strain gradient theory. The effect of the surrounding elastic medium and the van der Waals (vdW) interactions between the mass chain and the SWCNT on the wave propagation is quantitatively considered in governing equations, respectively. The analytical expressions of two flexural wave branches and the bandgap between the two branches are derived. When combining our MD simulations of the carbon-atom chain-filled SWCNT, the wave within the bandgap disperses rapidly, and the mass chain has a significant influence on the phase velocity of the flexural wave. The present theoretical solution has a high accuracy in a wide frequency range up to the THz region. In particular, the surrounding elastic medium of the MCSCs remarkably affects the phase velocity for low frequencies, but not for high frequencies. The present study indicates that the wave propagation of a SWCNT could be modulated by changing the filled mass chain and the surrounding elastic medium.

show abstract

Section: Introductionmentioning

confidence: 99%

Flexural Wave Propagation in Mass Chain-Filled Carbon Nanotubes

2019

View full text Add to dashboard Cite

show abstract

“…Theoretical studies [3][4][5][6][7][8][9][10][11][12][13] that have been carried out so far have led to the conclusion that innite metal nanowires are not linear (L) chains but rather, have only a quasi 1D geometry. For instance, Sanchez-Portal et al calculated the properties of Au, Cu, Ca and K atomic chains 3,11 using rst-principles calculations and found that the wires prefer a planar zigzag (Z) structure with a bond angle of 60 . Sanchez-Portal et al also suggested that Al atoms, having 3s 2 3p 1 valence, form a ladder (H) structure 8 comprised of two parallel linear chains that are close together.…”

Section: Introductionmentioning

confidence: 99%

“…22 It is thus clear that the bonding characters can be very different in the early and late TM nano-materials. Compared with noble [3][4][5][6][7][8][9][10]13 and alkali metal wires, 11,12,23 the investigation of TM atomic wires [24][25][26][27][28][29][30] is not yet sufficiently developed. S. Ciraci employed rst-principles ultraso pseudopotential plane-wave calculations to investigate 3d TM atomic chains, including L and Z shapes.…”

Section: Introductionmentioning

confidence: 99%