Strain/stress engineering on the mechanical and electronic properties of phosphorene nanosheets and nanotubes
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DOI: 10.1039/c7ra09668b
Abstract: Phosphorene is demonstrated to have a great potential in the electronics applications. In this work, the first-principle calculations are employed to predict the mechanical properties and the electronic structure of phosphorene nanosheets and nanotubes. Compared… read more here.
Keywords: phosphorene nanosheets; direction; nanosheets nanotubes; stress engineering ... See more keywords
Atom–atom force field for simulation of zirconia bulk, nanosheets and nanotubes
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Simulation"
DOI: 10.1080/08927022.2017.1303685
Abstract: Abstract The set of three pair atom–atom potentials for zirconia crystals and nano objects was developed. Besides Buckingham potential and Coulomb interaction, these force fields employ the additional functional forms: Fermi-Dirac, Inverse Gaussian or Morse… read more here.
Keywords: nanosheets nanotubes; atom atom; force; force fields ... See more keywords