Sharing of Na+ by Three -COO- Groups at Deprotonated Carboxyl-Terminated Self-Assembled Monolayer-Charged Aqueous Interface
Liu, X; Huang, G; Hu, KK; Sheng, N; Tian, CS; Shen, YR; Wen, YC; Shi, GS; Fang, HP
2018
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
卷号122期号:16页码:9111-9116
文章类型期刊论文
摘要By combining theoretical calculations and experimental observations, we show that Na+ can be shared by three charged -COO- groups of the deprotonated carboxyl-terminated self-assembled mono layers in aqueous solution at lipid-aqueous interface. This is similar to the sharing structure of Na+ usually found in crystals. Notably, this ionic configuration leads to a hydroxyl orientation distribution of interfacial water molecules, showing a maximum toward the bulk solution, in addition to the maximum toward the charged surface expected based on the structure of one-to-one ion-pair formation between Na+ and -COO-. Our results provide new insights for a better understanding of electrochemically and biologically related charged interfaces at the molecular level and should be helpful to design the nanodevices and bioinspired human-made nanomaterials.
关键词Sum-frequency Generation Space Gaussian Pseudopotentials Molecular-dynamics Simulation X-ray-absorption Hofmeister Series Water Orientation Spectroscopy Ion Potentials Binding
DOI10.1021/acs.jpcc.8b02065
收录类别SCI
语种英语
WOS记录号WOS:000431151200046
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/29134
专题中科院上海应用物理研究所2011-2018年
作者单位1.Liu, X
2.Huang, G
3.Hu, KK
4.Sheng, N
5.Tian, CS
6.Shen, YR
7.Wen, YC
8.Shi, GS
9.Fang, HP
推荐引用方式
GB/T 7714
Liu, X,Huang, G,Hu, KK,et al. Sharing of Na+ by Three -COO- Groups at Deprotonated Carboxyl-Terminated Self-Assembled Monolayer-Charged Aqueous Interface[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2018,122(16):9111-9116.
APA Liu, X.,Huang, G.,Hu, KK.,Sheng, N.,Tian, CS.,...&Fang, HP.(2018).Sharing of Na+ by Three -COO- Groups at Deprotonated Carboxyl-Terminated Self-Assembled Monolayer-Charged Aqueous Interface.JOURNAL OF PHYSICAL CHEMISTRY C,122(16),9111-9116.
MLA Liu, X,et al."Sharing of Na+ by Three -COO- Groups at Deprotonated Carboxyl-Terminated Self-Assembled Monolayer-Charged Aqueous Interface".JOURNAL OF PHYSICAL CHEMISTRY C 122.16(2018):9111-9116.
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