Adsorption and Sensing Behavior of Pristine, P‐Doped, and Al‐Doped Boron Nitride Nanosheets Toward Toxic Hydrogen Fluoride Gas: Insights from Density Functional Theory Analysis

s at 500 K with ultraviolet irradiation. HF adsorption-induced changes in the bandgap and work function revealed enhanced electrical conductivity. Optical properties, including the absorption coefficient and reflectivity, display pronounced UV-spectrum peaks. This detailed analysis reveals that P-doped BN is the most sensitive and selective candidate for detecting HF. Meanwhile, Al-doped BN offers rapid desorption and operational adaptability, establishing the foundation for designing top-performing sensors.