Structural and electronic properties of FeCl3 and CrO3 interacting with GaP nanotubes from DFT calculations
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DOI: 10.1039/d1nj01416a
Abstract: Density functional theory based calculations were performed to study the modification of the electronic and structural properties originating from the interaction between the (10,0) GaPNT and the FeCl3 and CrO3 compounds, using the software SIESTA.… read more here.
Keywords: gap; structural electronic; electronic properties; gapnt ... See more keywords