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Defects in Halide Perovskites: Does It Help to Switch from 3D to 2D?
Haibo Xue, Zehua Chen, Shuxia Tao +1
Ruddlesden-Popper hybrid iodide 2D perovskites are put forward as stable alternatives to their 3D counterparts. Using first-principles calculations, we demonstrate that equilibrium…
Compound Defects in Halide Perovskites: A First-Principles Study of CsPbI
Haibo Xue, José Manuel Vicent-Luna, Shuxia Tao +1
Lattice defects affect the long-term stability of halide perovskite solar cells. Whereas simple point defects, i.e., atomic interstitials and vacancies, have been studied in great…
Efficient Extraction of Hot Carriers in Perovskite Quantum Dot through Building State Coupled Complex
Yusheng Li, Junke Jiang, Dandan Wang +12
Utilizing hot carriers is the crucial approach for solar cell to exceed the thermodynamic detailed balance limit, yet effective extraction of hot carriers in absorber materials via…
Light-tunable three-phase coexistence in mixed halide perovskites
Zehua Chen, Geert Brocks, Shuxia Tao +1
Mixed iodine-bromine perovskites used in solar cells undergo below a critical temperature an intrinsic demixing into phases with different iodine-bromine compositions. In addition,…
What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI
Mike Pols, Tobias Hilpert, Ivo Filot +3
The commercialization of perovskite solar cells is hindered by the poor long-term stability of the metal halide perovskite (MHP) light absorbing layer. Solution processing, the com…