For all three monolayers the behaviour of Non-Equivalent-XH is identical. In this configuration, the Cu atom initially at site H, migrates to site B to reduce the distance between Cu atoms, and form a coppercopper bond. The migration of the Cu atom from H to site B results in it bonding to two chalcogens rather than three. This shows that even if the formation of a coppercopper bond leads to the breaking of a copper-chalcogen bond, it still increases the overall stability of the nanocluster.