Versatility of type-II van der Waals heterostructures: a case study with SiH-CdCl2

Abstract: Unlike bilayers or a few layers thick materials, heterostructures are designer materials formed by assembling different monolayers in any desired sequence. As a result, while multilayer materials come with their intrinsic properties, heterostructures can be tailor-made to suit specific applications. Taking SiH-CdCl 2 as a representative system, we show the potential of heterostructures for several applications, like piezoelectricity, photocatalytic water splitting, and tunnel field effect transistor (TFET). Our study confirms that the characteristics of the heterostructure mainly depend on the potential difference between the constituent monolayers. From the vast database of available layered materials, many such combinations with a suitable potential difference are expected to have similar properties. Our work points to a vast pool of assembled materials with multifunctionality, an excellent asset for next-generation device applications.