Density Functional Calculations on Silicon Carbide Nanostructures
Silicon carbide (SiC) nanomaterials are promising for wide applications such as light-emitting diodes, bioimaging, hydrogen storage, and gas sensors, etc. Here we summarize density function theory (DFT) methodologies used in simulating SiC nanostructures and theoretical research progress
on three types of SiC nanomaterials: SiC clusters/nanocrystals, SiC nanowires (SiCNWs), and SiC nanotubes (SiCNTs). Geometrical structures, electronic structures, optical properties as well as their applications of these SiC nanomaterials are discussed in detail on the basis of theoretical
calculation results.
Keywords: DENSITY FUNCTIONAL THEORY; NANOSTRUCTURES; PROPERTIES; SILICON CARBIDE
Document Type: Review Article
Publication date: November 1, 2012
- Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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