Control of the deprotonation of terephthalic acid assemblies on Ag(111) studied by DFT calculations and low temperature scanning tunneling microscopy - Surfaces, Interfaces et Nano-Objets Accéder directement au contenu
Article Dans Une Revue Physical Chemistry Chemical Physics Année : 2020

Control of the deprotonation of terephthalic acid assemblies on Ag(111) studied by DFT calculations and low temperature scanning tunneling microscopy

Corentin Durand
Hao Tang
Roland Coratger

Résumé

This paper deals with the investigations of terephthalic acid (TPA) molecules deposited on a low reactive Ag(111) surface and studied using scanning tunneling microscopy (STM) at low temperature and DFT calculations. These investigations show that two deprotonation states energetically equivalent can be produced at the single molecule level. On self assemblies, the mobility of H atoms at 77 K favours the motion of created defects in the layer. STM observations and DFT calculations show that the most stable structures are obtained when only one hydrogen atom is removed from an O-HÁ Á ÁO bond and when these deprotonated molecules are located in adjacent TPA rows.
Fichier principal
Vignette du fichier
Publi1-pdf.pdf (2.24 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03037303 , version 1 (17-12-2020)

Identifiants

Citer

Jeanne Heintz, Corentin Durand, Hao Tang, Roland Coratger. Control of the deprotonation of terephthalic acid assemblies on Ag(111) studied by DFT calculations and low temperature scanning tunneling microscopy. Physical Chemistry Chemical Physics, 2020, 22 (6), pp.3173-3183. ⟨10.1039/c9cp05151a⟩. ⟨hal-03037303⟩
86 Consultations
122 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More