Tunable electronic and dielectric properties of β-phosphorene nanoflakes for optoelectronic applications

Abstract

Electronic and dielectric properties of β-phosphorene nanoflakes in various configurations using density functional theory are reported. The tunable energy gap and dielectric response make these nanoflakes potential candidates for optoelectronic device applications.

Enhanced photocatalytic properties of a chemically modified blue phosphorene

“…Stability of the generated catalytic systems are studied in terms of their cohesive energies and it is calculated from the total electronic energies. [119][120][121] The cohesive energies of different systems are shown in Fig. 3.…”

Free-standing and supported phosphorene nanoflakes: Shape- and size-dependent properties

“…Earlier, Bhatia et al [52] have studied optical and electronic properties of β-PNFHs, and reported 2.77 eV, 2.50 eV, and 2.56 eV − E H L…”

“…In fact, nanoflakes of α-P and β-P, which are essential for diverse nanoelectronic application, display critical geometry and quantum size effects [50,51]. Earlier, the electronic and dielectric properties of only six specific blue phosphorene nanoflakes (β-PNF) have been studied and the possible usage in optoelectronic device applications has been discussed [52]. Zhou et al [53] studied 12 parallelogram and rectangular nanoflakes of αand β-PNF.…”

Edge effects on the intrinsic magnetism in ferromagnetic triangular phosphorene quantum dots using fully spin-polarized calculations

“…One of the 2D systems, isolated through exfoliation from black phosphorus, is phosphorene with a puckered lattice structure and strong intralayer bonding [7][8][9][10]. Besides the 2D layered structure, confining phosphorene into one and zero-dimensional (1D and 0D) nanostructures have attracted extensive attention due to their edge effects in electronic [11][12][13][14], transport [15], and thermal [16,17] properties and also optoelectronic applications [18][19][20]. The experimental synthesis of phosphorene quantum dots by liquid exfoliation technique [21,22] has fostered intensive theoretical investigations in both the tightbinding model and density functional theory (DFT).…”