Probing structure, electronic property, and hydrogen adsorption for the alkali auride series

. The structural evolution, relative stability, electronic property, and hydrogen adsorption of the alkali auride series, Au n M ( n = 1 - 8 ), M = Li , Na, K, Rb, Cs), have been investigated using the density functional theory calculations at PW91 level. For the lowest-energy clusters, the dopant a...

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