Concepedia

The interaction of oxygen with the γ-U (001) and (110) surfaces: An ab initio study

Chenglong Qin, Yushu Yu, Zihan Xu, Jiguang Du, Liang Zhao, Gang Jiang

Computational Materials Science · 2023 · 13 citations · 32 references

DOI

Concepts

References

32

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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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

Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)

Jörg Neugebauer, Matthias Scheffler · Physical review. B, Condensed matter · 1992 · 2.8K citations · Full text

, , +17

Interaction of water vapor with clean and oxygen-covered uranium surfaces

K. Winer, C.A. Colmenares, Rachael L. Smith et al. · Surface Science · 1987 · 80 citations

, , +13