2022/05/19 by A. T. Mulatu, K.N. Nigussa, Mulatu, A. T. +4
Engineering · Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Silicon Carbide Semiconductor Technologies #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.2205.09387
arxiv created 2022/05/19 · openalex publication_date 2022/05/19 · arxiv updated 2022/05/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Properties of transition metal (TM) doped single wall (8,0) SiC nanotube is investigated using first principles density functional theory as implemented within quantum espresso code. The properties studied are electronic, optical, and hydrogen storage prospect, while the transition metals used in the doping are Iron, Manganese, and Cobalt. The outcomes show that ferromagnetic ordering better describes the magnetic order within the doping process. The dopings result in half-metallic property. Hybridization between TM-3d and C-2p near Fermi-level region contributes to occurrence of the half-metallicity property. In addition, optoelectronics character and hydrogen storage capacity of the tube have appeared to be changed compared to that of the pristine. Dopings have appeared to result in an expanded range of optoelectronics applications ranging from photovoltaic effects of far infrared to visible lights. Furthermore, the tube appears to show a potential for hydrogen energy storage.