Abstract
AbstractThe local structure around germanium is a fundamental issue in material science and geochemistry. In the prevailing viewpoint, germanium in GeO2 melt is coordinated by at least four oxygen atoms. However, the viewpoint has been debated for decades due to several unexplained bands present in the GeO2 melt Raman spectra. Using in situ Raman spectroscopy and density functional theory (DFT) computation, we have found a [GeOØ2]n (Ø = bridging oxygen) chain structure in a GeO2 melt. In this structure, the germanium atom is coordinated by three oxygen atoms and interacts weakly with two neighbouring non-bridging oxygen atoms. The bonding nature of the chain has been analyzed on the basis of the computational electronic structure. The results may settle down the longstanding debate on the GeO2 melt structure and modify our view on germanate chemistry.
Funder
National Natural Science Foundation of China
Hefei Institutes of Physical Science, Chinese Academy of Sciences
CAS | Key Laboratory of Functional Crystals and Laser Technology, Chinese Academy of Sciences
Advanced Laser Technology Laboratory of Anhui Province
Publisher
Springer Science and Business Media LLC
Subject
General Physics and Astronomy,General Biochemistry, Genetics and Molecular Biology,General Chemistry,Multidisciplinary
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