EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles

被引：24

作者：

Arce, Valeria B. ^{[1
,2
]}

Gargarello, Romina M. ^{[1
]}

Ortega, Florencia ^{[1
]}

Romanano, Virginia ^{[1
]}

Mizrahi, Martin ^{[1
]}

Ramallo-Lopez, Jose M. ^{[1
]}

Cobos, Carlos J. ^{[1
]}

Airoldi, Claudio ^{[3
]}

Bernardelli, Cecilia ^{[4
]}

Donati, Edgardo R. ^{[4
]}

Martire, Daniel O. ^{[1
]}

机构：

[1] Natl Univ La Plata, CCT La Plata CONICET, Inst Invest Fisicoquim Teor & Aplicadas INIFTA, RA-1900 La Plata, Argentina

[2] CONICET La Plata CIC, Ctr Invest Opt CIOp, RA-1897 La Plata, Buenos Aires, Argentina

[3] Univ Estadual Campinas, Chem Inst, BR-13084971 Campinas, SP, Brazil

[4] Natl Univ La Plata, CCT La Plata CONICET, Fac Ciencias Exactas, Ctr Invest & Desarrollo Fermentac Ind,CINDEFI, RA-1900 La Plata, Argentina

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2015年 / 151卷

关键词：

Cadmium; Lead; Silica nanoparticles; EXAFS; DFT; MEH-PPV; COMPACT EFFECTIVE POTENTIALS; EXPONENT BASIS-SETS; EFFICIENT; REMOVAL; METALS;

D O I：

10.1016/j.saa.2015.06.093

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Silica nanoparticles of 7 nm diameter were modified with (3-aminopropyl) triethoxysilane (APTES) and characterized by CP-MAS C-13 and Si-29 NMR, FTIR, zeta potential measurements, and thermogravimetry. The particles were shown to sorb successfully divalent lead and cadmium ions from aqueous solution. Lead complexation with these silica nanoparticles was clearly confirmed by EXAFS (Extended X-ray Absorption Fine Structure) with synchrotron light measurements. Predicted Pb-N and Pb-C distances obtained from quantum-chemical calculations are in very good agreement with the EXAFS determinations. The calculations also support the higher APTES affinity for Pb2+ compared to Cd2+. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：156 / 163

页数：8

共 35 条

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