Loading of ionic compounds into metal-organic frameworks: a joint theoretical and experimental study for the case of La³âº.
Phys Chem Chem Phys
; 16(33): 17918-23, 2014 Sep 07.
Article
en En
| MEDLINE
| ID: mdl-25046605
ABSTRACT
Crystalline, highly orientated surface-anchored MOF thin films, grown on Au substrates, were prepared using liquid-phase epitaxy (LPE). The successful loading of La(3+) ions into the Cu3(BTC)2 (HKUST-1) SURMOFs (surface-mounted metal-organic frameworks) was monitored using X-ray diffraction (XRD). Theoretical calculations using classical force-field based Monte Carlo simulations yield a structure with two La(3+) ions within the large Cu3(BTC)2 pores, in full agreement with experimental results on the composition of these films and the relative intensities of the XRD peaks. Implications of these findings for using MOF thin films for electronic applications are briefly discussed.
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1
Colección:
01-internacional
Banco de datos:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Asunto de la revista:
BIOFISICA
/
QUIMICA
Año:
2014
Tipo del documento:
Article
País de afiliación:
Alemania