Thiogermanate glasses—influence of the modifier cation—a combined XPS and theoretical study
文献情報
D. Foix, H. Martinez, D. Gonbeau, D. Granier, A. Pradel, M. Ribes
The structure and electronic structure of a series of thiogermanate glasses has been investigated by means of X-ray photoelectron spectroscopy (XPS) and ab initio calculations with optimisation of geometrical parameters. The study has been focused on the influence of the content and nature of the modifier. On the whole it was shown that the modifier cation induces important electronic redistribution in the glassy matrix which extends to all sulfide atoms, either bridging or non-bridging, the evolution being all the more important that the modifier content is high. The present results evidence an important influence of the nature of the modifier cation; for silver glasses more covalent M–S bonds, less negative sulfur atoms and a more homogeneous electronic distribution on sulfur atoms are observed as compared to sodium glasses.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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