Related Experiment Video
Updated: Jun 20, 2026

Self-assembling Morphologies Obtained from Helical Polycarbodiimide Copolymers and Their Triazole Derivatives
Published on: February 7, 2017
Modelling the two-dimensional polymerization of 1,4-benzene diboronic acid on a Ag surface
Michel Sassi1, Vincent Oison, Jean-Marc Debierre
1Institut Matériaux Microélectronique Nanosciences de Provence, UMR-CNRS 6242, Université Paul Cézanne, 13397 Marseille Cedex 20, France.
Abstract:
Modelling of the two-dimensional polymerization of 1,4-benzene diboronic acid molecules on the Ag(111) surface, which leads to the formation of a covalent organic framework, is reported. An estimation of free enthalpy is given that takes into account the constraints induced by the molecular adsorption on the surface. The various thermodynamic functions, enthalpies, entropies, and free enthalpies, are obtained from DFT calculations. The entropic effect of the surface plays an important role in the polymerization free energy. A germination threshold is obtained.
Related Concept Videos
Structure of Benzene: Molecular Orbital Model
Cationic Chain-Growth Polymerization: Mechanism
Anionic Chain-Growth Polymerization: Mechanism
Structure of Benzene: Kekulé Model
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.
Radical Chain-Growth Polymerization: Chain Branching
Step-Growth Polymerization: Overview
Many natural and synthetic polymers are produced by...

