Concepedia

Synergy of Single-Atom Ni<sub>1</sub> and Ru<sub>1</sub> Sites on CeO<sub>2</sub> for Dry Reforming of CH<sub>4</sub>

Yu Tang, Yuechang Wei, Ziyun Wang, Shiran Zhang, Yuting Li, Luan Nguyen, Yixiao Li, Yan Zhou, Wenjie Shen, Franklin Tao,

Journal of the American Chemical Society · 2019 · 440 citations · 41 references

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Concepts

Abstract

site. These synergistic effects of the two sets of single-atom sites on the same surface demonstrated a new method for designing a catalyst with high activity and selectivity at a relatively low temperature.

References

41

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

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

, , +14