Functionalized Graphene and Hexagonal Boron Nitride (hBN) Two-Dimensional Heterosystems for Solar Cell Applications A.I. Shkrebtii and M. Rohlfing   2017/04/25

Abstrac

We present preliminary results of theoretical investigation of mono- and multi-layers of graphene (G), hexagonal boron nitride (hBN) and/or their combinations, functionalized with hydrogen, which are prospective for photovoltaic (PV) applications. Controlled hydrogenation of the above layered
systems allows to simultaneously tune 2D electron gap of the materials, create strong covalent interlayer bonding or bond the multilayers to a substrate. The functionalized nanomaterials under investigation demonstrate not only chemical stability and natural hardness, but they are also compatible with standard growth technologies used in photovoltaics. Such multilayers can be used as transparent solar cell windows, an interfacial layer, e.g., in a form of a tunnel junction, an electrode, 2D semiconducting material and other. In particular, graphene/ hBN heterosystems considered, allow tailoring of structural, electronic and bonding properties by controlled dose of
hydrogen. Their promising PV applications as well as already existing experimental implementations will be discussed in the end.

Authors and affiliations

A.I. Shkrebtii(1) and M. Rohlfing(2)
1 University of Ontario Institute of Technology, Oshawa, Ontario, Canada
2 Institut für Festkörpertheorie, Westfälische Wilhelms-Universität Münster, Germany

Key word

Graphene, hexagonal boron nitride, hydrogenated multilayers, photovoltaic cells; transparent materials

References

[1]X. Li, S. Lin, X. Lin, Z. Xu, P. Wang, S. Zhang, H. Zhong, W. Xu, Z. Wu, and W. Fang, “Graphene/h-BN/GaAs sandwich
diode as solar cell and photodetector”, Opt. Express, Vol. 24, pp. 134 – 145, (2016).
[2] M. Bernardi, M. Palummo, and J. C. Grossman, “Extraordinary sunlight absorption and one nanometer thick photovoltaics using two-dimensional monolayer materials.” Nano Lett., Vol. 13, 3664 – 3670, (2013).