作者: Wolfgang Kappus
DOI: 10.1016/J.SUSC.2020.121735
关键词: Covalent bond 、 k-nearest neighbors algorithm 、 Agglomerate 、 Dimer 、 Molecular electronics 、 Monolayer 、 Flory–Huggins solution theory 、 Chemical physics 、 Atom 、 Materials science
摘要: Abstract An extended elastic eigenvector approach for adatom interactions is applied to model nitrogen c(2x2) atom islands on Cu(001). Oscillating between monomers or dimers are considered. Attractive pair of adatoms able describe agglomeration but fail explain the size islands. Multisite created by dimers, however, can if an interaction parameter adjusted properly. Finite formed when repulsive monomer balanced attractive monomer-dimer interactions. A simple nearest neighbor attraction and s − 3 repulsion used as example search. Previous experimental studies have shown that in low coverage region atoms agglomerate isolated square about 5 nm × with a structure. With increasing those form regular patterns do not touch below 0.4 monolayers. experiments calculations island pattern show significant effects. Different structures within been analyzed, dimer step reproduce experimentally found size. This requires molecular bond forming dimers. The also compute check it against pattern. Shortcomings limitations discussed open questions formulated.