New insights into the atomic structure of 45S5 bioglass by means of solid-state NMR spectroscopy and accurate first-principles simulations

Chemistry of Materials

Volumn 22, Issue 19, 2010, Pages 5644-5652

  Pedone, Alfonso ^a   Charpentier, Thibault ^b   Malavasi, Gianluca ^c   Menziani, Maria Cristina ^c  

^a SCUOLA NORMALE SUPERIORE   (Italy)

^b CNRS UMR 3299   (France)

^c UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

45S5 BIOGLASS; ATOMIC SCALE; ATOMIC STRUCTURE; BRIDGING OXYGEN; CALCIUM CATIONS; CLASSICAL MOLECULAR DYNAMICS; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL SPECTRA; FIRST-PRINCIPLES SIMULATIONS; MAS NMR; NANO DOMAIN; SILICA NETWORKS; SILICATE NETWORK; SOLID-STATE NMR SPECTROSCOPY; STRUCTURAL DETAILS; STRUCTURAL MODELS; THEORETICAL RESULT;

ATOMIC SPECTROSCOPY; ATOMS; CALCIUM SILICATE; DENSITY FUNCTIONAL THEORY; MODEL STRUCTURES; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; POSITIVE IONS; SILICA; SILICATES; SILICON;

CRYSTAL ATOMIC STRUCTURE;

EID: 77957759260     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm102089c     Document Type: Article

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