Concepedia

Mechanism of sodium adsorption on N-doped graphene nanoribbons for sodium ion battery applications: A density functional theory approach

Hong Woo Lee, Hye Sook Moon, Jaehyun Hur, Il Tae Kim, Min Sang Park, Je Moon Yun, Kwang Ho Kim, Seung Geol Lee

Carbon · 2017 · 85 citations · 60 references

DOI

Concepts

References

60

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

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

, , +17

Electrical Energy Storage for the Grid: A Battery of Choices

Bruce Dunn, Haresh Kamath, Jean‐Marie Tarascon · Science · 2011 · 14.7K citations

, , +17