“…Three conjugated dianhydrides, pyromellitic dianhydride (PMDA), 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA), and 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA), have promising applications in electronic and optoelectronic devices, such as the construction of field effect transistors, , light-emitting diodes, , optical nanocavities, and metal-ion batteries. , These three conjugated dianhydrides are planar molecules consisting of two electron-withdrawing anhydride OC–O–CO groups attached to the opposite ends of a conjugated core of different sizes. The intermolecular interactions between NTCDA/PTCDA molecules and various metal substrate surfaces (e.g., Au, Ag, and Cu) have been explored using theoretical and experimental methods. − Researchers have investigated the interaction between In/Ti atoms and PTCDA molecules through theoretical calculations. , Tachikawa and Kawabata have also investigated the structural and electronic properties of Al-NTCDA and Al 4 NTCDA. , The calculations showed that the metal atoms can bind to the CO carbonyl group of NTCDA/PTCDA, accompanied by electron transfer from the metal atom to the carbonyl group.…”