Persistent Homology to Quantify the Quality of Surface-Supported Covalent Networks

Abraham Gutierrez; Mickaël Buchet; Sylvain Clair

doi:10.1002/cphc.201900257

Persistent Homology to Quantify the Quality of Surface-Supported Covalent Networks

Chemphyschem. 2019 Sep 17;20(18):2286-2291. doi: 10.1002/cphc.201900257. Epub 2019 Jul 11.

Authors

Abraham Gutierrez¹, Mickaël Buchet¹, Sylvain Clair²

Affiliations

¹ Institute of Discrete Mathematics, Graz University of Technology, Steyrergasse 30, 8010, Graz, Austria.
² Aix Marseille Univ, Univ Toulon, CNRS, IM2NP, Marseille, France.

PMID: 31132206
DOI: 10.1002/cphc.201900257

Abstract

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.

Keywords: 2D networks; Network quality; On-Surface Synthesis; persistent homology; scanning probe microscopy.

Publication types

Research Support, Non-U.S. Gov't

Abstract

Publication types

Grants and funding