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科学通报  2014 

氧在银/半胱氨酸螺旋纳米带形成中的作用

DOI: 10.1360/N972014-00224, PP. 2861-2867

Keywords: 密度泛函理论模拟,Ag(I)/Cysteine螺旋纳米带,,半胱氨酸,银离子

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Abstract:

使用量子力学密度泛函理论(DFT)模拟分析了银离子(Ag(I))和半胱氨酸(Cysteine)分子在碱性水溶液中的反应行为.研究发现,银离子与半胱氨酸上的巯基优先配位;在银/半胱氨酸(Ag(I)/Cysteine)螺旋纳米带生长过程中,氧起到了关键的作用,它使半胱氨酸部分氧化,释放了部分银离子配位位置,促成了Ag-S(R)链的成长,为后续螺旋纳米带生长奠定了基础.

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