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Electronic and NLO Investigation of Bismuthene Nanosheet as a Promising Photocatalyst
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Electronic and photocatalytic properties of single-layer Bismuthene
nanosheets have been investigated as a function of their sizes. It is
shown that Bismuthene nanosheet photocatalytic characteristics are
comparable with the currently available high-ranked photocatalysts. The
mentioned characteristics are enhanced by the extension of nanosheet
along both edges. The nonlinear optics (NLO) analysis for a variety of
nanosheet sizes displays a wide range of absorption on the solar
spectrum. This would be another fascinating characteristic of
water-splitting. The stability of the Bismuthene nanosheet falls by
widening the nanosheet from both sides of Armchair and Zigzag edges. The
variation of the energy gap between HOMO and LUMO levels concerning the
nanosheet width along both Armchair and Zigzag directions has been
explored up to 388 atoms. Regions of chemical activity in Bismuthene are
mainly focused in the middle of nanosheets. This means that either of
Armchair and Zigzag edges in Bismuthene nanosheet demonstrate a
negligible chemically activity.
Title: Electronic and NLO Investigation of Bismuthene Nanosheet as a Promising Photocatalyst
Description:
Electronic and photocatalytic properties of single-layer Bismuthene
nanosheets have been investigated as a function of their sizes.
It is
shown that Bismuthene nanosheet photocatalytic characteristics are
comparable with the currently available high-ranked photocatalysts.
The
mentioned characteristics are enhanced by the extension of nanosheet
along both edges.
The nonlinear optics (NLO) analysis for a variety of
nanosheet sizes displays a wide range of absorption on the solar
spectrum.
This would be another fascinating characteristic of
water-splitting.
The stability of the Bismuthene nanosheet falls by
widening the nanosheet from both sides of Armchair and Zigzag edges.
The
variation of the energy gap between HOMO and LUMO levels concerning the
nanosheet width along both Armchair and Zigzag directions has been
explored up to 388 atoms.
Regions of chemical activity in Bismuthene are
mainly focused in the middle of nanosheets.
This means that either of
Armchair and Zigzag edges in Bismuthene nanosheet demonstrate a
negligible chemically activity.
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