Tuning electronic, magnetic, and transport properties of blue phosphorene by substitutional doping: a first-principles study

Spin Transport and Spin Thermoelectric Transport in 2D Mn-Doped Blue Phosphorene with High Curie Temperature and Half-Metallicity

“…Our relaxed lattice constant, bond length, and buckling height are 3.278, 2.261, and 1.238 Å, respectively, and the calculated indirect energy gap is 1.9 eV (Figure S1b). The calculated lattice constant and band structure are in good agreement with the previous results. , In addition, our calculated phonon dispersion spectrum (Figure S1c) without negative frequency indicates the dynamically stability for pristine monolayer Blue-P.…”

Enhanced photocatalytic properties of a chemically modified blue phosphorene

“…86,87 Their physicochemical as well as electronic properties are also explored theoretically. [88][89][90][91] Further, their corresponding application as catalytic materials is also studied by some groups. [92][93][94][95] In the context of application as photocatalytic material, ample experimental studies of doped B-phosphorene has been reported where N is employed as dopant.…”

Strain-enhanced properties of van der Waals heterostructure based on blue phosphorus and g-GaN as a visible-light-driven photocatalyst for water splitting

“…[36][37][38] An interesting revelation is that the Dirac cone can be built in BlueP by hydrogenation, halogenation, 39 and four-fold-coordinated phosphorus atoms. 40 The properties of BlueP can also be tuned by altering its structure, 41,42 applying an electric eld 43 or strain, 33,44 via doping, [45][46][47] and by adsorption of certain species. 48 All of these studies indicate that BlueP is a promising candidate for anode material, 49 component of heterostructures, 50,51 and for application in optoelectronics and nano-electronic devices.…”