Uncovering the Mechanism Behind the Improved Stability of 2D Organic–Inorganic Hybrid Perovskites

Zhiming Shi, Zhen Cao, XiaoJuan Sun, YuPing Jia, DaBing Li, Luigi Cavallo, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

15 Scopus citations


2D organic-inorganic hybrid perovskites (OIHPs) may resolve the stability problem of bulk OIHPs. First-principles calculations are employed to investigate the mechanism behind their favorable material properties. Two processes are identified to play a critical role: First, the 2D structure supports additional distortions that enhance the intrinsic structural stability. Second, the surface terminations of 2D OIHPs suppress degradation effects due to humidity. Having uncovered the stabilization mechanism, 2D OIHPs are designed with optimal stability and favorable electronic properties.
Original languageEnglish (US)
Pages (from-to)1900462
Issue number16
StatePublished - Mar 21 2019

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