Concepedia

Efficient catalytic oxidation of chlorinated volatile organic compounds over RuO2-WOx/Sn0.2Ti0.8O2 catalysts: Insight into the Cl poisoning mechanism of acid sites

Feiyi Zhou, Xin Qi, Yujie Fu, Zhesheng Hua, Yi Dong, Mingchu Ran, Hao Song, Shaojun Liu, Ruiyang Qu, Yang Yang,

Chemical Engineering Journal · 2023 · 126 citations · 52 references

DOI

Concepts

References

52

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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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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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT

Stefan Maintz, Volker L. Deringer, Andrei L. Tchougréeff et al. · Journal of Computational Chemistry · 2016 · 3.5K citations · Full text

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