Gas sensing of fibrous red phosphorene towards inorganic air pollutants: Insights from first-principles calculations

Theoretical insights into the two-dimensional gallium oxide monolayer for adsorption and gas sensing of C4F7N decomposition products

“…The work function ( Φ ) of pristine and adsorbed Ga 2 O 3 is described as 36 Φ = E vacuum − E F where E vacuum represents the vacuum energy level, and E F represents the Fermi energy level.…”

Renaissance of elemental phosphorus materials: properties, synthesis, and applications in sustainable energy and environment

“…682 Dharani et al 683 and Bhuvaneswari et al 684 have studied the adsorption characteristics of hexanal, benzyl chloride, and chlorobenzene on violet phosphorene. Zhang et al 685 have conducted spin-polarized first-principles computations with vdW correction to investigate the properties of fibrous phosphorene in air pollution monitoring. Fibrous phosphorene with a lone pair of electrons in the p orbital shows strong attraction to electron-deficient substances, giving rise to high detection sensitivity for NO, NO 2 , O 3 , and SO 2 .…”

Polymorphic Phosphorus Applied to Alkali‐Ion Battery Electrodes

“…[19] Furthermore, the sensing capabilities of fibrous RP monolayer for the detection of volatile organic compounds and inorganic air pollutants are evaluated by simulation. [20,21] The highly anisotropic linear and nonlinear optical responses of the fibrous RP are manifested by the angle-and polarization-resolved analyses of PL, Raman, and third harmonic generation (THG). [22]…”