Issue 22, 2014

Photophysical properties of open-framework germanates templated by nickel complexes

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.

Graphical abstract: Photophysical properties of open-framework germanates templated by nickel complexes

Supplementary files

Article information

Article type
Paper
Submitted
26 Feb 2014
Accepted
30 Mar 2014
First published
24 Apr 2014

Phys. Chem. Chem. Phys., 2014,16, 10891-10896

Photophysical properties of open-framework germanates templated by nickel complexes

M. V. Peskov and U. Schwingenschlögl, Phys. Chem. Chem. Phys., 2014, 16, 10891 DOI: 10.1039/C4CP00836G

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