Concepedia

Electronic and dehydrogenation properties of TiB2 cluster-doped NaAlH4 (101) surface: A first-principle approach

Chuan Liu, Jiali Jiang, Shiping Huang, Peng Wang, Huiping Tian

International Journal of Hydrogen Energy · 2014 · 10 citations · 16 references

DOI

Concepts

References

16

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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Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

Special points for Brillouin-zone integrations

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

, , +6

Hydrogen-storage materials for mobile applications

L. Schlapbach, Andreas Züttel · Nature · 2001 · 8.7K citations · Full text

, , +12

Ti-doped alkali metal aluminium hydrides as potential novel reversible hydrogen storage materials

Borislav Bogdanović, Manfred Schwickardi · Journal of Alloys and Compounds · 1997 · 1.8K citations

, , +12