Sub-Nanometer-Range Structural Effects From Mg²⁺ Incorporation in Na-Based Borosilicate Glasses Revealed by Heteronuclear NMR and MD Simulations.

ABSTRACT: Magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) experiments and molecular dynamics (MD) simulations were employed to investigate Na₂O-B₂O₃-SiO₂ and MgO-Na₂O-B₂O₃-SiO₂ glass structures up to ≈0.3 nm. This encompassed the {Na^[p]}, {Mg^[p]}, and {B^[3], B^[4]} speciations and the {Si, B^[p], M^[p]}-BO and {Si, B^[p], M^[p]}-NBO interatomic distances to the bridging oxygen (BO) and nonbridging oxygen (NBO) species, where the superscript indicates the coordination number. The MD simulations revealed the dominance of Mg^[5] coordinations, as mirrored in

SUBMITTER: Lv P 

PROVIDER: S-EPMC11264277 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature