A reverse Monte Carlo study of a zinc–europium phosphate glass
Literature Information
G. Navarra, G. Piccaluga, G. Pinna
A combination of seven independent experimental functions obtained by X-ray diffraction and EXAFS from synchrotron radiation and neutron diffraction techniques were used as references in a reverse Monte Carlo simulation of a glassy sample of 0.1Eu(PO3)3–0.9Zn(PO3)2 composition. The final model shows that the phosphate chains essentially retain the structure they have in pure zinc metaphosphate, while zinc and europium ions are set among the chains, so enveloped that oxygens from the PO4 groups create coordination cages. The zinc ions maintain the same environment they have in pure zinc metaphosphate. The europium sites are more complex, made up by a nearest neighbour shell of non-bridging oxygens, to which also a minor number of bridging oxygens contribute at longer distances.
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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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