Zr-Catalyzed Hydrogen Chemisorptions on an Al Surface
The most promising hydrogen storage materials are perhaps complex metal hydrides. Thus, a plausible first step in the rehydrogenation mechanism is proposed by simulating the reversible hydrogen storage in Zr-doped NaAlH4. It provides insight into the catalytic role of Zr atoms on an Al surface in the chemisorptions of molecular hydrogen. It is found that the diffusion of hydride species on Al-metallic phase and formation of Al hydride species is probably the key to syntheses the next products in the rehydrogenation reaction.
Huaiying Zhou, Tianlong Gu, Daoguo Yang, Zhengyi Jiang, Jianmin Zeng
W. X. Zhang et al., "Zr-Catalyzed Hydrogen Chemisorptions on an Al Surface", Advanced Materials Research, Vols. 197-198, pp. 1096-1099, 2011