Concepedia

DFT investigation of metal doped graphene capacity for adsorbing of ozone, nitrogen dioxide and sulfur dioxide molecules

Nastaran Askari Ardehjani, Davood Farmanzadeh

Adsorption · 2019 · 17 citations · 39 references

DOI

Concepts

References

39

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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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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The rise of graphene

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

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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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The electronic properties of graphene

A. H. Castro Neto, F. Guinea, N. M. R. Peres et al. · Reviews of Modern Physics · 2009 · 24.6K citations · Full text

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