陈晓婧

教授 、研究生导师

单位:口腔医学院(湘雅口腔医院)

入职时间:2018年03月13日

学位:博士学位

专业:口腔医学

毕业院校:Queen Mary University of London

电子邮件:

办公地点:湘雅口腔医院住院第一栋2楼

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Molecular Dynamics Investigation of Halide-Containing Phospho-Silicate Bioactive Glasses

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发表时间:2018年03月02日

学科门类:材料科学与工程

论文类型:基础研究

发表刊物:J. Phys. Chem. B

卷号:122

期号:11

页面范围:2940-2948

摘要: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

备注:DOI:10.1021/acs.jpcb.8b00547

合写作者:Alfonso Pedone;Xiaojing Chen;Robert Hill;Natalia Karpukhina