Ab-initio calculations of titanium solubility in NaAlH4 and Na3AlH6

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +16

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

Natural Sciences, Chemistry, Computational Chemistry +15

Storage of hydrogen in single-walled carbon nanotubes

Anne C. Dillon, K. M. Jones, T. Bekkedahl et al. · Nature · 1997 · 3.8K citations

Natural Sciences, Materials Engineering, Materials Science +12

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

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Natural Sciences, Materials Engineering, Materials Science +12

A panoramic overview of hydrogen storage alloys from a gas reaction point of view

G. Sandrock · Journal of Alloys and Compounds · 1999 · 918 citations

Natural Sciences, Materials Engineering, Materials Science +16