Network structure of Mo-oxide glasses

19th International School on Condensed Matter Physics: Advances in Nanostructured Condensed Matter: Research and Innovations

Fabian, M.^1,2 ; Svab, E.^2 ; Milanova, M.^3 ; Krezhov, K.^4

Centre for Energy Research, Konkoly-Thege st. 29-33, Budapest

1121, Hungary^1

Wigner Research Centre for Physics, Konkoly-Thege st. 29-33, Budapest

1121, Hungary^2

Institute of General and Inorganic Chemistry, Acad. G. Bonchev str., bld. 11, Sofia

1113, Bulgaria^3

Institute for Nuclear Research and Nuclear Energy, 72 Tzarigradsko Chaussee, Sofia

1784, Bulgaria^4

关键词: Atomic correlation;    Bond-angle distribution;    Coordination number;    Glass compositions;    High energy x-ray diffraction;    Intermediate range order;    Network structures;    Reverse monte carlo simulation;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/794/1/012005/pdf
DOI  :  10.1088/1742-6596/794/1/012005

来源: IOP

【 摘 要 】

The structure of molybdate glasses have been investigated by neutron and high-energy X-ray diffraction coupled with Reverse Monte Carlo (RMC) simulation technique. From the modelling the partial atomic correlation functions gij(r), the coordination number distributions CNijand bond angle distributions have been revealed. For binary 90MoO3-10Nd2O3glass composition the fraction of MoO4/MoO6was 0.55/0.25. Three type of ternary system have been studied, where the most important structural units was authenticated. For MoO3-Nd2O3-B2O3sample mixed MoO4-BO4and MoO4-BO3linkages form pronounced intermediate-range order. In case of MoO3-ZnO-B2O3series the BO3and BO4units are linked to MoO4and/or ZnO4, forming mixed MoO4-BO4(BO3), MoO4-ZnO4and ZnO4-BO4(BO3) bond-linkages.