Proposed Mechanisms for the Catalytic Activity of Ti in NaAlH4

被引:106
作者
Frankcombe, Terry J. [1 ]
机构
[1] Australian Natl Univ, Res Sch Chem, Canberra, ACT 0200, Australia
关键词
REVERSIBLE HYDROGEN STORAGE; DENSITY-FUNCTIONAL THEORY; SODIUM ALUMINUM-HYDRIDE; X-RAY-DIFFRACTION; ZIRCONIUM-DOPED NAALH4; POINT-DEFECT DYNAMICS; TRANSITION-METAL; AB-INITIO; DEHYDROGENATION KINETICS; DESORPTION-KINETICS;
D O I
10.1021/cr2001838
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A study was conducted to demonstrate titanium (Ti)-based doping in sodium alanate. Proposed mechanisms for Ti catalysis were proposed mechanisms for Ti catalysis in turn. A brief overview of the decomposition of sodium alanate, the nature of the additives investigated for catalyzing hydrogen storage in sodium alanate, and what happened to the Ti on doping into the material was also presented to definitively establish the context for the mechanistic proposals. It was observed that pure unit Ti, improvements in the kinetics of hydrogen release and uptake slowed with increasing amounts of added Ti. This was accompanied by the obvious decrease in the by-weight hydrogen storage capacity of the overall material, meaning that there was an optimum window of a few wt % Ti for mobile hydrogen storage.
引用
收藏
页码:2164 / 2178
页数:15
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