Surface functionalization with nonalternant aromatic compounds: a computational study of azulene and naphthalene on Si(001).
aromaticity
azulene
density functional theory
nonalternant
silicon
surface functionalization
Journal
Journal of physics. Condensed matter : an Institute of Physics journal
ISSN: 1361-648X
Titre abrégé: J Phys Condens Matter
Pays: England
ID NLM: 101165248
Informations de publication
Date de publication:
24 Aug 2021
24 Aug 2021
Historique:
received:
05
06
2021
accepted:
05
08
2021
pubmed:
6
8
2021
medline:
6
8
2021
entrez:
5
8
2021
Statut:
epublish
Résumé
Nonalternant aromatic π-electron systems show promises for surface functionalization due to their unusual electronic structure. Based on our previous experiences for metal surfaces, we investigate the adsorption structures, adsorption dynamics and bonding characteristics of azulene and its alternant aromatic isomer naphthalene on the Si(001) surface. Using a combination of density functional theory,
Identifiants
pubmed: 34352730
doi: 10.1088/1361-648X/ac1aee
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Informations de copyright
Creative Commons Attribution license.