Photophysical properties of open-framework germanates templated by nickel complexes

Literature Information

Publication Date 2014-04-24
DOI 10.1039/C4CP00836G
Impact Factor 3.676
Authors

M. V. Peskov, U. Schwingenschlögl


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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(H2N(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.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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