講演情報
[16p-M_124-16]Interplay of Defect Chemistry and Stability in Ge-Based Halide Perovskites
〇Qing Wang1, Yusheng Li2, Shota Kawachino1, Qing Shen2, Satoshi Iikubo1 (1.Kyushu Univ., 2.Electro-Commu. Univ.)
キーワード：
Organic-inorganic hybrid perovskite、DFT calculation
In this work, we investigate the structural, optoelectronic, and environmental properties of MAGeI3 and its B-site alloyed derivatives, MASn0.5Ge0.5I3 and MAPb0.5Ge0.5I3, through a combination of first-principles calculations and experimental characterization. DFT calculations reveal that MAPb0.5Ge0.5I3 possesses higher defect formation energies and a reduced density of deep-level trap states, whereas MASn0.5Ge0.5I3 remains defect-prone and highly sensitive to oxidation. These theoretical predictions are well-supported by experimental findings: XRD and UV-Vis measurements show composition-dependent variations in crystallinity and bandgap, while PL and TRPL analyses confirm the divergent trap densities. Environmental aging tests further demonstrate that Pb-alloyed compositions exhibit significantly enhanced stability compared to the rapidly degrading Sn-containing samples. Overall, this study underscores the importance of B-site alloying for defect engineering in Ge-based hybrid perovskites, providing a computational framework for designing high-performance optoelectronic materials with improved longevity.