Band Structure Engineering in 2D Metal-Organic Frameworks.
2D materials
angle‐resolved photoelectron spectroscopy
band structure engineering
density functional theory
molecular ligand
single‐layer metal–organic framework
transition metal
Journal
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
ISSN: 2198-3844
Titre abrégé: Adv Sci (Weinh)
Pays: Germany
ID NLM: 101664569
Informations de publication
Date de publication:
09 Aug 2024
09 Aug 2024
Historique:
revised:
12
07
2024
received:
02
05
2024
medline:
9
8
2024
pubmed:
9
8
2024
entrez:
9
8
2024
Statut:
aheadofprint
Résumé
The design of 2D metal-organic frameworks (2D MOFs) takes advantage of the combination of the diverse electronic properties of simple organic ligands with different transition metal (TM) centers. The strong directional nature of the coordinative bonds is the basis for the structural stability and the periodic arrangement of the TM cores in these architectures. Here, direct and clear evidence that 2D MOFs exhibit intriguing energy-dispersive electronic bands with a hybrid character and distinct magnetic properties in the metal cores, resulting from the interactions between the TM electronic levels and the organic ligand π-molecular orbitals, is reported. Importantly, a method to effectively tune both the electronic structure of 2D MOFs and the magnetic properties of the metal cores by exploiting the electronic structure of distinct TMs is presented. Consequently, the ionization potential characteristic of selected TMs, particularly the relative energy position and symmetry of the 3d states, can be used to strategically engineer bands within specific metal-organic frameworks. These findings not only provide a rationale for band structure engineering in 2D MOFs but also offer promising opportunities for advanced material design.
Identifiants
pubmed: 39119845
doi: 10.1002/advs.202404667
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e2404667Subventions
Organisme : European Research Council
ID : 101071259
Pays : International
Organisme : European Union's Horizon 2020 research and innovation programme
ID : No 101007417
Informations de copyright
© 2024 The Author(s). Advanced Science published by Wiley‐VCH GmbH.
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