Prediction of silicon-29 nuclear magnetic resonance chemical shifts using a group electronegativity approach: applications to silicate and aluminosilicate structures

Towards a quantitative rationalization of multicomponent glass properties by means of molecular dynamics simulations

“…Besides, a simple electrostatic model [50] shows that the substitution of a zinc ion for a silicon ion in a Q n unit causes the chemical shift to decrease of about 10%, in with the one derived by MD simulations, which ranges from 0.5 in the Zn-free glass to 1.78 in the HZ (x=0.78), associated to the progressive establishment of highly ramified backbone of interconnected Si-Zn-P tetrahedral.…”

Ex situ XRD, TEM, IR, Raman and NMR spectroscopy of crystallization of lithium disilicate glass at high pressure

“…Control crystalline LS 2 sample presented in Fig. 7 shows a large peak at À92.1 ppm and a small peak at À93.5 ppm, both of which correspond to Q 3 tetrahedra species [26][27][28]. [24] and LS [25].…”

Intermediate-Range Order of Alkali Disilicate Glasses and Its Relation to the Devitrification Mechanism

“…10,12 Much glass research has focused on understanding short-range order,whichdescribesfirst-neighborcoordinationenvironments, [13][14][15][16][17][18][19][20] as well as tetrahedral connectivity in glass. [21][22][23][24] In general, it is found for these features of structural order that glasses are essentially the same as the analogous crystalline phases, regardless of crystal nucleation mechanism. 12, 25 Less work has been directed toward understanding intermediate-range order in glass.…”