First principles calculations for photovoltaic and optoelectronic properties of pristine and doped-graphene
This study employed density functional theory (DFT) calculations within the CASTEP code to investigate the effects of boron (B) and beryllium (Be) doping on the structural and optoelectronic properties of graphene. The computational method involved geometry optimization using the (L-BFGS) algorithm,...
| 語言: | 英语 |
|---|---|
| 出版: |
2024
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| 在線閱讀: | https://hdl.handle.net/20.500.14170/13699 |
| Abstract | Abstract here |