Abstract
A large scale approach based on scanning tunneling microscopy STM simulation images and ab initio computation is used to report the adsorbed trimesic acids (TMA) monomer and monolayer behaviors on graphene. Our results unravel the interplay between the adsorption energy and band gap opening for different adsorption sites of TMA/graphene. It has been revealed that regarding to stability of different adsorption site and interaction with π electron containing surfaces (graphene), the high adsorption energy can induce maximum band gap in the system and open up possible uses of graphene in electronic device applications. A vital role on carboxyl functional groups is related to duality behaviors of combined acceptor and donor character with regard to hydrogen bonds which provides stable intermolecular self-assembly1 and monolayers (for detailed explanation and analysis see reference [1]).
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