Concepedia

A DFT study of volatile organic compounds adsorption on transition metal deposited graphene

Manaschai Kunaseth, Preeyaporn Poldorn, Anchalee Junkeaw, Jittima Meeprasert, Chompoonut Rungnim, Supawadee Namuangruk‬, Nawee Kungwan, Chan Inntam, Siriporn Jungsuttiwong

Applied Surface Science · 2016 · 64 citations · 61 references

DOI

Concepts

References

61

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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Electric Field Effect in Atomically Thin Carbon Films

Kostya S. Novoselov, A. K. Geǐm, Da Jiang et al. · Science · 2004 · 66.1K citations · Full text

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From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

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An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

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Energy-adjusted <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> pseudopotentials for the first row transition elements

Michael Dolg, Ulrich Wedig, Hermann Stoll · The Journal of Chemical Physics · 1987 · 3.5K citations

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