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- W2886182859 abstract "First-principles calculations based on density functional theory are carried out to investigate the formation energy, transition energy level, electronic structure and effect of strain on Ce-doped SnS2 monolayer nanosheet. Numerical results show that the doped nanocompound is energetically stable, while the introduced dopant state is composed completely of Ce_4f electrons, and the adopted perfect SnS2 monolayer leads to the disagreement with experimental Ce3+ ionic state. Applying biaxial strain from −10% to +10%, the doped system holds the indirect semiconducting characteristics in the strain range −4%∼+6%. The variation tendency of bandgaps is almost to be a horizontal line about 1.9eV under compressive conditions, and the bandgaps increase slowly at first and then decrease rapidly beyond +4%. This work is useful for further improving Ce-doped SnS2 nanostructures and paves the way in the potential application in photocatalysis and lithium-ion battery." @default.
- W2886182859 created "2018-08-22" @default.
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- W2886182859 date "2018-10-01" @default.
- W2886182859 modified "2023-09-30" @default.
- W2886182859 title "Strain effect on the electronic properties of Ce-doped SnS2 monolayer" @default.
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- W2886182859 doi "https://doi.org/10.1016/j.physb.2018.07.032" @default.
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