Persistent homology to quantify the quality of surface- supported covalent networks

Abraham Gutierrez (1) , Mickael Buchet (1) , Sylvain Clair (2)

1 TU Graz - Technische Universität Graz
2 IM2NP - Institut des Matériaux, de Microélectronique et des Nanosciences de Provence

Covalent networks formed by on-surface synthesis usually suffer from the presence of a large number of defects. We report on a methodology to characterize such two-dimensional networks from their experimental images obtained by scanning probe microscopy. The computation is based on a persistent homology approach and provides a quantitative score indicative of the network homogeneity. We compare our scoring method with results previously obtained using minimal spanning tree analyses and we apply it to some molecular systems appearing in the existing literature.

Mots clés: Persistent homology; Scanning probe microscopy; On-surface synthesis; Network quality; 2D networks

Domaines: Science des matériaux [cond-mat.mtrl-sci]; Matériaux

Abraham Gutierrez, Mickael Buchet, Sylvain Clair. Persistent homology to quantify the quality of surface- supported covalent networks. ChemPhysChem, 2019, 20 (18), pp.2286-2291. ⟨10.1002/cphc.201900257⟩. ⟨hal-02292844⟩