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<p>Janus transition metal dichalcogenide bilayers are investigated as potential solar cell materials by first-principles calculations to identify candidates with direct band gap and type-II band alignment. The effects of the interface stacking and interface composition are explored. 11 out of the 20 examined bilayers show promising features and therefore are characterized in terms of the charge transfer, absorption spectrum, and power conversion efficiency.</p>

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Engineering of Janus transition metal dichalcogenide bilayers as absorber materials for solar cells

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年4月28日

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  • Saber Alfurhud,
  • Udo Schwingenschlögl

摘要

Janus transition metal dichalcogenide bilayers are investigated as potential solar cell materials by first-principles calculations to identify candidates with direct band gap and type-II band alignment. The effects of the interface stacking and interface composition are explored. 11 out of the 20 examined bilayers show promising features and therefore are characterized in terms of the charge transfer, absorption spectrum, and power conversion efficiency.