A new phosphorene allotrope: the assembly of phosphorene nanoribbons and chains

Abstract

Phosphorene allotrope monolayers such as blue and red phosphorus are attempted to be designed and synthesized to be used in the optoelectronics field due to their tunable bandgap and high...

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

“…Researchers have gained a better understanding of phosphorus clusters that constitute EPMs, and theoretical studies have predicted a variety of energetically supported allotropes such as phosphorus fullerenes and nanotubes, 76 crimson phosphorus, 77 Haeckelite phosphorus, 344 and phosphorene derivatives. [345][346][347] However, despite these predictions, most of these allotropes are still in the theoretical stage lacking effective experimental synthetic methods. This section focuses on the experimental synthesis of three uncommon EPMs, namely, phosphorus nanorods, greenish phosphorus, and onedimensional phosphorus nanostructures confined within carbon nanotubes.…”

Recent Advances in Phosphorene: Structure, Synthesis, and Properties

“…Another feature that distinguishes phosphorene from graphene is the presence of a plethora of structural phases, which are absent in sp 2 ‐hybridized systems. Recently, a variety of stable geometrical configurations of phosphorene with nonplanar structure have been predicted by simulations (Figure 1), such as β ‐phosphorene, γ ‐phosphorene, δ ‐phosphorene, Green phosphorene ( λ ‐P), ε ‐phosphorene, ζ ‐phosphorene, η ‐phosphorene, θ ‐phosphorene, δ ‐phosphorene, ψ ‐phosphorene, mixed phosphorene allotropes ( αβ‐ P , βγ‐ P , γδ‐ P , αγ‐ P , αδ‐ P , βδ‐ P , αε‐ P , βε‐ P , γε‐ P , ζε‐ P1 , ζε‐ P2), α ‐P 6 , β ‐P 6 , red phosphorene, Kagome phosphorene, Haeckelite phosphorene, Hex‐star phosphorene nanoribbon, Crimson phosphorus, square‐octagon phosphorene, P 567 monolayer, and 2D porous phosphorus, [ 47,50–63 ] of which the puckered black phosphorene allotrope ( α ‐phase) is the most stable. [ 50,58 ] Deringer et al.…”

“…[18,49] Another feature that distinguishes phosphorene from graphene is the presence of a plethora of structural phases, which are absent in sp 2 -hybridized systems. Recently, a variety of stable geometrical configurations of phosphorene with nonplanar structure have been predicted by simulations (Figure 1), such as 𝛽-phosphorene, 𝛾-phosphorene, 𝛿-phosphorene, Green phosphorene (𝜆-P), 𝜖-phosphorene, 𝜁-phosphorene, 𝜂-phosphorene, 𝜃-phosphorene, 𝛿-phosphorene, 𝜓-phosphorene, mixed phosphorene allotropes (𝛼𝛽-P, 𝛽𝛾-P, 𝛾𝛿-P, 𝛼𝛾-P, 𝛼𝛿-P, 𝛽𝛿-P, 𝛼𝜖-P, 𝛽𝜖-P, 𝛾𝜖-P, 𝜁𝜖-P1, 𝜁𝜖-P2), 𝛼-P 6 , 𝛽-P 6 , red phosphorene, Kagome phosphorene, Haeckelite phosphorene, Hex-star phosphorene nanoribbon, Crimson phosphorus, square-octagon phosphorene, P 567 monolayer, and 2D porous phosphorus, [47,[50][51][52][53][54][55][56][57][58][59][60][61][62][63] of which the puckered black phosphorene allotrope (𝛼-phase) is the most stable. [50,58] Deringer et al developed a generalized machine-learning method for atomistic simulations of bulk and nanostructured forms of phosphorus, which had predicted a variety of nanowires and 2D phosphorus allotropes, and also demonstrated proof-of-concept simulations of phosphorene nanoribbons with >80-nm-long, as well as for liquid phases, breaking through the limitations of the density functional theory (DFT) code in phosphorene systems.…”

“…Copyright 2021, Elsevier. l) Reproduced with permission [57]. Copyright 2022, Royal Society of Chemistry.…”

Rippled blue phosphorene with tunable energy band structures and negative Poisson’s ratio

“…11 Furthermore, many novel monolayer phosphorus allotropes composed of 3-, 4-, 5-, 6-, 7-, 8-, 10-, and 12-phosphorus units have been predicted through density functional theory (DFT) calculations. 9,[12][13][14][15][16][17] Based on these works, more complex monolayer phosphorus allotropes with porous structures are further predicted, such as 21 new stable 2-D phosphorus crystals by assembling phosphorus monomer, dimer, trimer, tetramer, and hexamer, 18 and five very stable structures B1-, B2-, G1-, G2-, and G3-P proposed by gene segments recombination methods based on the previously proposed crystal structures η-P and θ-P, 19 enormously enriching the 2-D crystals of phosphorus family. All these 2-D allotropes are semiconductors.…”