[15a-K402-1~8] 12.8 特定テーマ：有機無機ハイブリッドペロブスカイトの光電物性・デバイス作製・構造制御

9:30 〜 9:45英語発表

[15a-K402-3] Thermodynamic stability and defect trapping activity in Ge-based perovskites

〇Qing Wang¹, Shota Kawachino¹, Satoshi Iikubo¹ (1.Kyushu Univ.)

キーワード：

Perovskite、DFT calculation

We processed a detailed investigation of the thermodynamic stability and defect trapping activity of native defects in CH₃NH₃GeI₃, CH₃NH₃Sn_0.5Ge_0.5I₃, CH₃NH₃Pb_0.5Ge_0.5I₃ and doped CH₃NH₃GeI₃ which is achieved using density functional theory (DFT) calculations and verified by experiments. The XRD profiles of the samples aging in air reveals the consistent results with DFT calculations that the stability of CH₃NH₃Pb_0.5Ge_0.5I₃ is better than CH₃NH₃GeI₃ and CH₃NH₃Sn_0.5Ge_0.5I₃. Alloying germanium with Zn, Ba, K or Sr may enhance the material thermal stability and morphology in the defect chemistry of CH₃NH₃GeI_3. The findings from such investigations may lead to novel approaches to overcome the stability issues and to promote the widespread use of lead-free perovskite solar cells.