Concepedia

Atomic-scale probing of defect-assisted Ga intercalation through graphene using ReaxFF molecular dynamics simulations

Nadire Nayir, Mert Y. Sengul, Anna Costine, Petra Reinke, Siavash Rajabpour, Anushka Bansal, Azimkhan Kozhakhmetov, Joshua A. Robinson, Joan M. Redwing, Adri C. T. van Duin

Carbon · 2022 · 14 citations · 66 references

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Concepts

References

66

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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VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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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

, , +17