Concepedia

Shallow Iodine Defects Accelerate the Degradation of α-Phase Formamidinium Perovskite

Shaun Tan, İlhan Yavuz, Marc H. Weber, Tianyi Huang, Chung-Hao Chen, Rui Wang, Hao-Cheng Wang, Jeong Hoon Ko, Selbi Nuryyeva, Jingjing Xue,

Joule · 2020 · 310 citations · 67 references

DOIFull text

Open access

Concepts

References

67

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

, , +17