Structure and stability of SiC nanotubes

Abstract

We propose structural and electronic properties of recently synthesized SiC nanotubes. The nanotubes with a Si to C ratio of 1:1 exhibit rich morphologies and are shown to belong to two distinct categories that are close in energies but show significant differences in electronic and transport properties. Similarities and differences are invoked with the case of BN nanotubes to explain the observed surface reconstruction.

Work function of single-wall silicon carbide nanotube

“…Thus, the carbon and silicon atoms form a carbon cylindroid and a silicon cylindroid respectively. This result is consistent with previous studies 15,16,20 . The nanotube diameter we used in this paper is the average diameter of silicon and carbon cylindroids.…”

“…SiC nanotube (SiCNT) has been synthesized successfully by many groups [3][4][5][6][7][8][9][10][11][12][13] . Detailed investigations about the structure and electronic properties have been reported in reference [14][15][16][17][18][19][20] . It is found that the most stable structure of SiCNT is the tube with alternating carbon and silicon atoms, in which the nearest carbon and silicon atoms form Si-C bonds 15,23 .…”

“…Detailed investigations about the structure and electronic properties have been reported in reference [14][15][16][17][18][19][20] . It is found that the most stable structure of SiCNT is the tube with alternating carbon and silicon atoms, in which the nearest carbon and silicon atoms form Si-C bonds 15,23 . Many kinds of gas molecules can be adsorbed on the surface of SiCNTs with large binding energies 22,[24][25][26] , therefore SiCNTs can be potentially applied as chemical gas sensors and hydrogen storage material.…”

Second-harmonic generation and linear electro-optical coefficients of SiC polytypes and nanotubes

“…Recently, SiC-NTs were also synthesized by the reaction of CNTs and SiO at different temperatures [17]. This has stimulated a number of theoretical and experimental investigations on the tubular form of * Electronic address: gyguo@phys.ntu.edu.tw the SiC [18,19,20,21,22]. Based on density-functional calculations, Miyamoto and Yu [23] predicted the existence of graphitic and tubular forms of SiC and also proposed their synthesis using an extreme hole injection technique.…”

Effect of Heating Duration on the Synthesis of Silicon Carbide Nanotubes by Microwave Heating of MWCNTs and Silica

“…The bond length of Si-C bond are longer and spread wider inside the nanotube structure of SiCNTs and curvature effect of nanotube were reduced thus resulted the increased diameter of SiCNTs. In the study of the structure and stability of SiCNTs, Menon et al (2004) reported that C-C bond length for MWCNTs are shorter than Si-C bond length of SiCNTs and the strain on Si-C bond was reduced which caused the diameter of SiCNTs to increase. Figure 4 shows the TEM images of the SiCNTs synthesized at heating duration of 40 min.…”