Concepedia

Bridge-type Mn–O–Mn sites promoting catalytic methane oxidation and carbonate desorption over Mn-based oxides

Jiacheng Xu, Tiantian Zhang, Yan Sun, Shiyu Fang, Zuliang Wu, Erhao Gao, Jiali Zhu, Wei Wang, Lian‐Xin Dai, Weihua Liu,

Catalysis Science & Technology · 2023 · 10 citations · 37 references

DOI

Concepts

Abstract

MnO 2 is a good catalyst due to its various crystal structures and oxidative valence states.

References

37

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

, , +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

Highly efficient mesoporous MnO2 catalysts for the total toluene oxidation: Oxygen-Vacancy defect engineering and involved intermediates using in situ DRIFTS

Shengpeng Mo, Qi Zhang, Jiaqi Li et al. · Applied Catalysis B: Environmental · 2019 · 875 citations

, , +17