We have investigate various phenomena and changes in properties occurring at interfaces between metal and organic molecules using ab initio density functional theory
Using ab initio density functional theory, we have investigated the structural and electronic properties of self-assembled HATCN patterns on graphene.
Using ab initio density functional theory, we have investigated the self-assembled pattern of HATCN molecules on gold surface.
Using ab initio density functional theory, we have investigated the electronic structures of self-assembled chains comprising Ag atoms and organic molecules.