Electronic properties and tunability in graphene/3D-InP mixed-dimensional van der Waals heterostructure

Abstract

InP solar cell is promising for space application due to its strong space radiation resistance and high power conversion efficient (PCE). Graphene/InP heterostructure solar cell is expected to have a higher PCE because strong near-infrared light can also be absorbed and converted additionally by graphene in this heterostructure. However, a low PCE was reported experimentally for Graphene/InP heterostructures. In this paper, electronic properties of graphene/InP heterostructures are calculated using density functional theory to understand the origin of the low PCE and propose possible improving ways. Our calculation results reveal that graphene contact with InP form a p-type Schottky heterostructure with a low Schottky barrier height (SBH). It is the low SBH that leads to the low PCE of graphene/InP heterostructure solar cells. A new heterostructure, graphene/insulating layer/InP solar cells, is proposed to raise SBH and PCE. Moreover, we also find that the opened bandgap of graphene and SBH in graphene/InP heterostructures can be tuned by exerting an electric field, which is useful for photodetector of graphene/InP heterostructures.

Graphical abstract

Keywords

graphene / InP(111) / heterostructure / density functional theory

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (Grant Nos. 12074441, 11774438, and 12104518) and Guangdong Basic and Applied Basic Foundation in China (Grant No. 2019A1515011572 and 2022A1515012643).

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