Photocatalytic water splitting in the gap between plasmonic gold nanoclusters

Plasmon-mediated photocatalytic water splitting holds promise for efficient solar energy harvesting. Experimental studies have shown that “hot spots” in an assembly of plasmonic nanoclusters, which is the real case practical applications, are beneficial photocatalysis, but interactions between different nanoclusters difficult to observe by experimental techniques. Theoretical studies, however, employed model with a molecule adsorbed on single metal nanocluster. Here, we representative placed gap two gold and computationally investigated effects configurations plasmon-mediated splitting. Results show hot electron transfer mode can be tuned configurations. Compared configuration only one nanocluster, more significant contribution direct charge was observed attributed stronger field enhancement; as result, rate also enhanced. demonstrate chain from nanocluster then other tunable distances nanoclusters. This significantly affected amount electrons accumulated molecule. Caused this, where right at center i.e., corresponding strongest enhancement, surprisingly not most favorable reaction.