fig3

Figure 3. (A) The atomic structure and (B) density of states of five-layer phosphorene, shifted with respect to the vacuum level E_V. The vertical purple lines indicate the positions of the CBM and VBM. (C) Energy diagram of five-layer phosphorene incorporated TiO₂ photoelectrodes-based PSC^[93]. Copyright 2019 Wiley. (D) Band structures and TDOS of phosphorene (P), arsenene (As), antimonene (Sb), and bismuthine (Bi) with α-phase and β-phase. The dashed lines indicate the direction for calculating the effective masses of electrons and holes^[95]. Copyright 2023 American Chemical Society. (E) Simulated reflectivity (R(ω)) spectra of phosphorene (P), arsenene (As), antimonene (Sb), and bismuthine (Bi) with the α-phase and β-phase^[95]. Copyright 2023 American Chemical Society. (F) Calculated absorption coefficients (α(ω) × 105 cm^-1) of phosphorene (P), arsenene (As), antimonene (Sb), and bismuthine (Bi) with the α-phase and β-phase^[95]. Copyright 2023 American Chemical Society.