Ammonia dynamics in magnesium ammine from DFT and neutron scattering

Energy storage in the form of ammonia bound in metal salts, so-called metal ammines, combines high energy density with the possibility of fast and reversible NH3 ab- and desorption kinetics. The mechanisms and processes involved in the NH3 kinetics are investigated by density functional theory (DFT)...

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Veröffentlicht in:	Energy & environmental science 2010-01, Vol.3 (4), p.448-456
Hauptverfasser:	Tekin, Adem, Hummelshoj, Jens S, Jacobsen, Hjalte S, Sveinbjornsson, Dadi, Blanchard, Didier, Norskov, Jens K, Vegge, Tejs
Format:	Artikel
Sprache:	eng
Schlagworte:	Activation energy Ammines Ammonia Desorption Diffusion Magnesium Mathematical analysis Neutron scattering
Online-Zugang:	Volltext
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