In addition, the energetic parameters accompanying hydrogen species binding (BE, ΔH, and ΔG) were analysed. The observed trends indicate that the adsorption energies vary with the cluster size, with a maximum of all energetic parameters for clusters with n= 2-3 and showing a general decrease in all energetic parameters as the cluster size increases further. The positive values of ΔG indicate that the adsorption process is not thermodynamically favourable for the H2 molecules and the H atoms. The Chini clusters do not readily attract and retain these species on their surfaces. The desorption process, or the release of the H2 molecules from the Chini clusters, is thermodynamically favourable. This suggests that H2 is likely to desorb spontaneously when it is formed on the surface of the cluster. That is the property which is desired from the good candidates for the H2 generation.