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- W3208021851 abstract "Abstract Performing first‐principles calculations, electronic and optical properties of the C 3 B/SiC 2 heterobilayers with two stacked configurations are explored systematically. They are verified to be energetically and dynamically stable by their binding energies and phonon dispersions. Also, they possess moderate bandgaps and intrinsic type‐II band alignment promoting the effective separation of photogenerated electron‐hole pairs. The quasi‐particle band structure and light absorbance of the C 3 B/SiC 2 can be tuned significantly under different interlayer coupling induced by the stacking modes. They both exhibit strong optical absorbance coefficients (larger than 10 5 cm –1 ) in the energy range of near‐infrared to near‐ultraviolet light. More interestingly, the observed binding energies of excitons are as large as ≈800 meV in the C 3 B/SiC 2 , which can slow the rapid recombination of photogenerated electron‐hole pairs, thus increasing the efficiency of solar energy conversion. A power conversion efficiency of ≈18.9% can be achieved in the C 3 B/SiC 2 . These results indicate that the C 3 B/SiC 2 heterobilayer has potential applications in the optoelectronic devices." @default.
- W3208021851 created "2021-11-08" @default.
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- W3208021851 date "2021-10-29" @default.
- W3208021851 modified "2023-09-25" @default.
- W3208021851 title "Novel C<sub>3</sub>B/SiC<sub>2</sub> Heterobilayer: Electro‐Optical Properties Induced by Different Interlayer Coupling" @default.
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- W3208021851 doi "https://doi.org/10.1002/adts.202100275" @default.
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