The study of the electron transport characteristics of bilayer blue phosphorus with different stacking by first principles

Abstract

We study the structural, electronic and transport property of bilayer blue phosphorus (BBP) by using the first-principles. Our results show that the band gap can be adjusted by different stacking structures of the BBP. We simulate the functional device based on AA-, AB-and AC-stacking BBP and the transport characteristics of the current-voltage curve with nonlinear competitive behavior are investigated. Of the three devices, AA stacking BBP has the highest conductivity. Under special bias, the currents of AB-and AC-stacking devices produce interesting competitive behavior. The transport characteristics behaviors of the BBP can be explained by the band structure, transport spectrum and molecular projected self-consistent Hamiltonian. We can control the change of current by adjusting the different contact modes of the BBP. The BBP with interesting electronic and transport properties are expected to have potential applications in nanoelectronics.

Ultrahigh Mobility and Photocatalytic Activity through Dislocation Engineering in Phosphorene/2D-TiO2 van der Waals Heterostructures

“…The culmination of our research, based on band alignment 22 and charge analysis, underscores the unequivocal potential of the Blue P/TiO 2 heterostructure as an exemplary photocatalytic material. The alignment of its valence and conduction band positions impeccably fulfills the prerequisites for efficacious photocatalytic water decomposition, yielding hydrogen and oxygen, 23−25 and CO 2 reduction into CH 4 and CH 3 OH. The pronounced absorption capacity across the visible light spectrum further solidifies its applicability within the domains of photocatalytic water splitting and CO 2 reduction, holding the promise of environmental remediation.…”

“…In the realm of advanced semiconductor materials, the dynamic interplay between material properties and functional applications is a subject of paramount importance. Recent developments in material science have illuminated the exceptional potential of blue phosphorus (Blue P) and black phosphorus (Black P) as high-mobility semiconductor materials, showcasing mobility values ranging from 10 to 26 × 10 3 cm 2 V –1 s –1 . , Blue P and Black P stand as isomers, each exhibiting intriguing properties. − The heterojunctions combined with various two-dimensional materials such as GaN, WS 2 , InSe, MoS 2 , GeS, and g-C 3 N 4 have unveiled superior photocatalytic performance or high carrier mobility. These traits open up avenues for applications in pivotal domains: photocatalytic water and CO 2 decomposition or field-effect transistors. − …”