First‐principles Calculations of InS‐based Nanotubes
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DOI: 10.1002/ijch.201600054
Abstract: We employed first-principles simulations using a hybrid exchange-correlation density functional PBE0 within an LCAO approximation to investigate the properties of InS single layers and nanotubes constructed from its stable orthorhombic and hypothetical hexagonal phases. We… read more here.
Keywords: ins based; chemistry; based nanotubes; principles calculations ... See more keywords