Theoretical Study of Arsenic-Doped (6,0) Zigzag Silicon Carbide Nanotube as a N-Semiconductor

Abstract

A computational study based on density functional theory (DFT) calculations were performed to investigate the influence of arsenic doping (As-doping) on the electronic and structural properties of the (6,0) zigzag silicon carbide nanotube (SiCNT) as a n-semiconductor. We extended the DFT calculation to predict the electronic structure properties of As-doped SiCNTs, which are very important for production of solid-state devices and other applications. STUDY OF As-DOPED (6,0) ZIGZAG SiCNT AS A n-SEMICONDUCTOR 1383The study of the optimized structures, nuclear magnetic resonance (NMR) parameters, electronic properties, and quantum molecular descriptors of the As Si and As C models show that the As Si model is a better n-semiconductor from As C model in production of solid-state devices.

RETRACTED: Potential application of AlP nanosheet semiconductor in the detection of toxic phosgene, thiophosgene, and formaldehyde gases

“…With the innovational expansion of nanotechnology, nanomaterials such as nanotubes [27], fullerenes [28], nanocages [29], nanoclusters [30] and nanosheets [31] have attracted the attention of the research community in the sensors and optoelectronics field because of their unique properties. Various nanomaterials have been reported for the sensing of particular chemicals by both experimental and theoretical studies [32][33][34][35].…”

A density functional theory study of hydrogen storage on Ni and Pd doped hetero GeC nanotubes

“…Several researchers have focused their attention on studying the effect of B or N doping on the electronic structure properties of C and SiC nanotubes 24, 29, 38, 42, 64–90 . On the contrary, there is very little data on the study of gallium (Ga) and arsenic (As) doping on nanotubes 83, 91–94 . The impact of heteroatoms B, N, Ga, and As on the storage of hydrogen in germanium carbide nanotubes decorated with Ni should be thoroughly explored.…”