Journal:J. Phys. Chem. B
Abstract:Oxyhalide-containing silicate glasses have been receiving increasing attention in recent years due to their extensive medical and dental applications. This manuscript reports the first detailed structural investigation using MD simulations in the context of chloride- and mixed-fluoride/chloride-containing phospho-silicate bioactive glasses. It is shown that adding fluoride, chloride, and mixed fluoride and chloride has not altered the Qn silicate distribution and phosphorus speciation significantly in all of the glasses investigated. The Q2 silicon species is the predominant species with small
Note:DOI:10.1021/acs.jpcb.8b00547
Co-author:Alfonso Pedone；Xiaojing Chen；Robert Hill；Natalia Karpukhina
Indexed by:Unit Twenty Basic Research
Discipline:材料科学与工程
Document Type:J
Volume:122
Issue:11
Page Number:2940-2948
Translation or Not:no