Fig. 1: Synthesis of combinatorial molecular library.

a, Pipeline for accelerated discovery, scale-up and computational rationalization of nanojunction photocatalysts. b, Chemical structures of the molecular acceptors (A) and the molecular donors (D). The combinatorial synthesis of CNP acceptors is based on a two-step Hantzsch pyridine synthesis reaction. DDQ, 2,3-dichloro-5,6-dicyano-p-benzoquinone.