Concepedia

Molecular cleavage strategy enabling optimized local electron structure of Co-based metal-organic framework to accelerate the kinetics of oxygen electrode reactions in lithium-oxygen battery

Xinxiang Wang, Dayue Du, Long‐Fei Ren, Haoyang Xu, Xiaojuan Wen, Ting Zeng, Guilei Tian, Sheng Liu, Fengxia Fan, Chaozhu Shu

Energy storage materials · 2023 · 51 citations · 76 references

DOI

Concepts

References

76

Generalized Gradient Approximation Made Simple

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

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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

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

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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

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