Yinghui Xue

Atomic-Scale Insights into Termination-Dependent Interfacial Electronic Properties and Charge Transfer at MAPbI3/Rare-Earth Oxide (CeO2, La2O3) Heterojunctions

This study combines first-principles calculations with experimental investigations to elucidate the interfacial mechanisms of heterojunctions formed between MAPbI3 and rare-earth oxides (CeO2 and La2O3). For the MAPbI3/CeO2 and MAPbI3/La2O3 systems, four interfacial configuration...