Concepedia

Transforming ceria into 2D clusters enhances catalytic activity

Konstantin Khivantsev, Hien N. Pham, Mark Engelhard, Hristiyan A. Aleksandrov, Libor Kovarik, Mark Bowden, Xiaohong Shari Li, Jinshu Tian, Iskra Z. Koleva, Inhak Song,

Nature · 2025 · 92 citations · 37 references

DOI

Concepts

References

37

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

, , +17

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

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17