The structural and electronic properties of Stone-Wales defective zigzag/armchair antimonene nanotubes: First-principles calculations
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DOI: 10.1139/cjp-2021-0288
Abstract: Geometric optimization and electronic properties of Stone-Wales defective antimonene nanotubes are calculated using the method of first-principle calculations based on density functional theory (DFT). The possible orientations of zigzag/armchair nanostructures when Stone-Wales defects are formed… read more here.
Keywords: antimonene; antimonene nanotubes; properties stone; wales defective ... See more keywords
Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach
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DOI: 10.22036/pcr.2017.39484
Abstract: The monitoring and controlling of environmental pollutions are very important in biological and industrial processes, and a great interest is growing with the development of suitable gas–sensitive materials and hazardous chemical removal devices. In this… read more here.
Keywords: stone; perfect stone; stone wales; wales defective ... See more keywords