Tunable Electronic Properties and Potential Applications of 2D GeP/Graphene van der Waals Heterostructure

Abstract

Heterostructure of various 2D semiconductors have attracted extensive attention due to their tunable electronic properties and tremendous application potential. Using first‐principles calculations, the electronic properties of a GeP/graphene van der Waals heterostructure are studied and the physical mechanism of its properties modulated by strain and electric field are examined. The calculations reveal that not only the electronic properties of the GeP/Graphene heterostructure, but also the position of the graphene's Dirac cone, can be modulated by uniaxial strain. Interestingly, uniaxial strain can induce p‐type to n‐type Schottky contact transition and its band alignment allows photocatalytic water splitting. The band edges of the GeP relative to that of graphene are effectively modulated by transverse electric field. These findings provide comprehensive understanding of fundamental properties of the GeP/graphene heterostructure and its tunable electronic properties through strain engineering and electric fields, which will be helpful to the application of 2D GeP‐based nanodevices.

Interlayer excitons in MoSe2/2D perovskite hybrid heterostructures – the interplay between charge and energy transfer

“…While this effect requires further systematic studies, we postulate that it might be related to the internal energy transfer between the individual monolayers of 2DPs. 68 This process "refills" the exciton/ carrier populations of the 2DP monolayer in contact with MoSe 2 and is sensitive to the 2DP crystal thickness, 68 which explains the observed dependence.…”

Tuning Schottky Barrier and Contact Type of Metal–Semiconductor in Ti3C2T2/MoS2 (T = F, O, OH) by Strain: A First-Principles Study

“…Unlike the Fermi level pinning effect that occurs when traditional three-dimensional metals such as gold, silver, and platinum are used as electrode materials, the weak interaction in 2D metal–semiconductor (M-S) vdW junctions can eliminate the Fermi level pinning effect and 2D M-S vdW junctions have become the focus in the field of nanodevices. , Although 2D M-S vdW junctions exhibit fascinating properties for electronics, the obstacle of the contact resistance between the metal and semiconductor still exists, which severely limits the device’s performance . The contact resistance is closely related to the Schottky barrier and the tunneling barrier . Therefore, it is essential to study the contact engineering of a metal–semiconductor.…”

“…18 The contact resistance is closely related to the Schottky barrier and the tunneling barrier. 19 Therefore, it is essential to study the contact engineering of a metal−semiconductor.…”

Synthesis, Crystal Growth, and Transport Properties of van der Waals Tetrel Pnictide GeAs2

“…16,17 Computational studies of GeP/graphene heterostructures have also shown tunability through strain and electric fields, demonstrating potential use in nanodevices. 18 GeAs has been extensively studied for thermoelectric applications, with a Sn-substituted GeAs sample exhibiting a zT of 0.35 at 660 K. 1 Tetrel monopnictides have not only shown potential for isovalent doping, but have also shown tolerance for aliovalent doping as well, further expanding their structural and electronic flexibility. 1,6,19 Unlike tetrel monopnictides, the corresponding dipnictides have had less experimental attention, despite a number of promising theoretical studies.…”

“…The majority of Si and Ge pnictides form isostructural families of compounds; for instance, GeAs, SiAs, and GeP crystallize in the C 2/ m space group, while GeAs 2 , SiAs 2 , and the orthorhombic polymorph of SiP 2 crystallize in the Pbam space group. − In terms of experimental characterization, many of the monopnictides have been characterized. Orthorhombic SiP was shown to be a promising optoelectronic material, while GeP possesses exceptional electrochemical properties for Li-ion and Na-ion batteries. , Computational studies of GeP/graphene heterostructures have also shown tunability through strain and electric fields, demonstrating potential use in nanodevices . GeAs has been extensively studied for thermoelectric applications, with a Sn-substituted GeAs sample exhibiting a zT of 0.35 at 660 K .…”