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

Abraham Gutierrez, Mickaël Buchet^*, Sylvain Clair

^*Corresponding author for this work

Institute of Discrete Mathematics (5050)

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Journal	ChemPhysChem
DOIs	https://doi.org/10.1002/cphc.201900257
Publication status	E-pub ahead of print - 1 Jan 2019

Keywords

2D networks
Network quality
on-surface synthesis
persistent homology
scanning probe microscopy

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Physical and Theoretical Chemistry

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10.1002/cphc.201900257

Cite this

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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.",

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AB - 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.

KW - 2D networks

KW - Network quality

KW - on-surface synthesis

KW - persistent homology

KW - scanning probe microscopy

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

Abstract

Keywords

ASJC Scopus subject areas

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