Photophysical properties of open-framework germanates templated by nickel complexes

Handle URI:
http://hdl.handle.net/10754/563196
Title:
Photophysical properties of open-framework germanates templated by nickel complexes
Authors:
Peskov, Maxim ( 0000-0002-9906-4308 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Open-framework germanates are a group of germanium oxides with a well-defined porous structure, suitable for ion-exchange and gas adsorption applications. Recently, Ni incorporation into the porous structure by establishing Ge-O-Ni bonds with the molecular complexes [Ni(H 2N(CH2)2NH2)2] was realized. We investigate the optical and electronic features of these systems (SUT-1 and SUT-2) from first principles. To describe the photophysical behavior, we analyze the bonding between the Ni and nearest-neighboring atoms and simulate the absorption spectra. Because of their optical characteristics, germania-based nanomaterials are expected to be essential components of future optical and electronic devices. We discuss to what extent molecular transition-metal complexes embedded into porous germanium oxide can modify the optical response to potentially expand the area of applications. This journal is © the Partner Organisations 2014.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Physical Chemistry Chemical Physics
Issue Date:
2014
DOI:
10.1039/c4cp00836g
PubMed ID:
24763397
Type:
Article
ISSN:
14639076
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorPeskov, Maximen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T11:37:56Zen
dc.date.available2015-08-03T11:37:56Zen
dc.date.issued2014en
dc.identifier.issn14639076en
dc.identifier.pmid24763397-
dc.identifier.doi10.1039/c4cp00836gen
dc.identifier.urihttp://hdl.handle.net/10754/563196en
dc.description.abstractOpen-framework germanates are a group of germanium oxides with a well-defined porous structure, suitable for ion-exchange and gas adsorption applications. Recently, Ni incorporation into the porous structure by establishing Ge-O-Ni bonds with the molecular complexes [Ni(H 2N(CH2)2NH2)2] was realized. We investigate the optical and electronic features of these systems (SUT-1 and SUT-2) from first principles. To describe the photophysical behavior, we analyze the bonding between the Ni and nearest-neighboring atoms and simulate the absorption spectra. Because of their optical characteristics, germania-based nanomaterials are expected to be essential components of future optical and electronic devices. We discuss to what extent molecular transition-metal complexes embedded into porous germanium oxide can modify the optical response to potentially expand the area of applications. This journal is © the Partner Organisations 2014.en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.titlePhotophysical properties of open-framework germanates templated by nickel complexesen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalPhysical Chemistry Chemical Physicsen
kaust.authorPeskov, Maximen
kaust.authorSchwingenschlögl, Udoen

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