Many-body effects-driven intermediate band states in intercalated 2D Cu<sub>x</sub>GeSe/SnS heterostructure

ORAL

Abstract

Through advanced ab initio many-body computations and materials modeling, we design a new generation of quantum photovoltaic materials through intercalation of zerovalent copper atoms into atomically thin GeSe/SnS heterostructure. The designed material exhibits quasi-localized intermediate band states which are governed by many-body interactions. Our calculations highlight a notable improvement in the optical spectra, specifically in the crucial 400 to 600 nm wavelength range spanning near-infrared to visible solar wavelengths. Moreover, a prototype thin-film solar cell with this material as its active layer achieves an external quantum efficiency (EQE) of up to 190%.

*This work is supported in part by NSF DMR-2202101 and Department of Energy DE-SC0024099. SMK acknowledges the Lee Graduate Fellowship from College of Arts and Sciences, Lehigh University. Supercomputer support is provided by the DOD High-Performance Computing Modernization Program at the Army Engineer Research and Development Center, Vicksburg, MS. and by the CCT@Lehigh.

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Publication: Kastuar, S. M., & Ekuma, C. E. Engineering intermediate band states in chemically tuned 2D van der Waals CuxGeSe/SnS quantum material for photovoltaic application. (Under review)

Presenters

  • Srihari M Kastuar

    • Lehigh University

Authors

  • Srihari M Kastuar

    • Lehigh University

  • Lyubov Titova

    • Worcester Polytechnic Institute

  • Kristie J Koski

    • University of California, Davis

  • Chinedu E Ekuma

    • Lehigh University