In2 O3-Ga2O3 Alloys as Potential Buffer Layers in CdTe Thin-Film Solar Cells

Dive, A.; Varley, J.; Banerjee, S.

doi:10.1103/physrevapplied.15.034028

Title: In₂ O₃-Ga₂O₃ Alloys as Potential Buffer Layers in CdTe Thin-Film Solar Cells

Journal Article · Wed Mar 10 00:00:00 EST 2021 · Physical Review Applied

DOI:https://doi.org/10.1103/physrevapplied.15.034028· OSTI ID:1841866

^[1]; Varley, J. ^[2];

^[3]

Washington State Univ., Pullman, WA (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Washington State Univ., Pullman, WA (United States)

The efficiency of state-of-the-art Cd Te solar cells remains limited by the relatively low open-circuit voltage (V_OC). Improving the front interface is key towards realizing a higher V_OC after achieving the necessary bulk carrier density and lifetime. Recent efforts in identifying buffer layers beyond Cd S have focused on Mg_xZn_1-xO, which offers tunability of the band offsets, but often suffers from high interfacial defect densities. Ga₂O₃-based buffer layers demonstrate tremendous improvements in interfacial defect passivation in crystalline silicon and dye-sensitized solar cells, leading to record high V_OC, yet remain largely unexplored in Cd Te-based devices. Here, we perform hybrid density-functional-theory calculations to investigate pure Ga₂O₃ and InGaO₃ alloys as a window layer in Cd Te photovoltaics. We report calculated band offsets for several pairs of solid-solid interfaces comprising transparent conducting oxide (TCO) and Cd Te heterojunctions. The results support a large conduction band offset spike of 0.67 eV for the Cd Te/Ga₂O₃ (100) interface, while the offset is reduced to 0.18 eV for the InGaO₃ alloy and matches closely with the preferred optimum value of 0.2 eV. Device-level modeling tests of Cd Te solar cells integrating our results indicate that the highest efficiency is achieved with InGaO₃ acting both as a buffer layer and TCO. Finally, our results suggest that alloys of In₂O₃ and Ga₂O₃ may be attractive alternatives to Mg_xZn_1-xO for tailoring optimal conduction-band offsets of the buffer and TCO layers in high-efficiency Cd Te thin-film solar cells.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1841866

Report Number(s):: LLNL-JRNL-815952; 1024368; TRN: US2301464

Journal Information:: Physical Review Applied, Vol. 15, Issue 3; ISSN 2331-7019

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: In2 O3-Ga2O3 Alloys as Potential Buffer Layers in CdTe Thin-Film Solar Cells

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Title: In₂ O₃-Ga₂O₃ Alloys as Potential Buffer Layers in CdTe Thin-Film Solar Cells