Concepedia

Enhancing stability and catalytic activity of layered MnO2 via interfacing with YMn2O5 towards H2O2 decomposition

Shen Zhang, Wanying Wang, Lijing Wang, Shan Gao, Xiangmei Duan, Ruiting Hao, Gang Chen, Wen Wang, Chunning Zhao, Weichao Wang

Applied Catalysis B: Environmental · 2024 · 11 citations · 60 references

DOI

Concepts

References

60

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

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

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17