Concepedia

A theoretical study on metal atom-modified BC3 sheets for effects of gas molecule adsorptions

Yanan Tang, Xiao Cui, Weiguang Chen, Dalei Zhu, Huaduo Chai, Xianqi Dai

Applied Physics A · 2018 · 29 citations · 68 references

DOI

Concepts

References

68

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

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

The rise of graphene

A. K. Geǐm, Kostya S. Novoselov · Nature Materials · 2007 · 39.5K citations

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