Using density functional theory, the effects of P, Al, and Ga atoms doping on electronic structure of boraphene (B) were investigated. The results show the highest change in electronic structure of doped-B systems belongs to Al-B structures wherein the gap energy of the system is decreased by 17.92%. DOS diagrams and absorption spectra of doped B are compared to pristine and discussed. The capability of pristine and modified B in the field of detection/adsorption of HF molecule has been evaluated. The calculated values of adsorption energies of 0.13, 0.63, 0.24, and 0.16 eV for adsorption of HF on pristine, Al-, Ga-, and P-B and related DOS diagrams reveal that these systems are not superior host materials for detection/adsorption applications. It was found that the external electric field could increase the interaction between HF and B systems leading to suggesting Al-B as proper candidate for HF removal applications.
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